SCHEMBL14985883

SCHEMBL14985883

CCc1nc(C)c2ccccc2n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR3 P46089 1/20 0.55
▸ ALDH1A1 P00352 4/20 0.55
▸ HPGD P15428 2/20 0.55
▸ CYP1A2 P05177 2/20 0.55
▸ NUDT1 P36639 1/20 0.55
▸ HSD17B10 Q99714 1/20 0.55
▸ PRNP P04156 4/20 0.49
▸ TSHR P16473 2/20 0.49
▸ RXFP1 Q9HBX9 2/20 0.49
▸ NPSR1 Q6W5P4 2/20 0.49
▸ KDM4E B2RXH2 3/20 0.48
▸ LMNA P02545 2/20 0.48
▸ MPO P05164 1/20 0.46
▸ RAD52 P43351 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ TNKS2 Q9H2K2 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ MAPK1 P28482 1/20 0.42
▸ KMT2A Q03164 2/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17904025 0.85 ALDH1A1 (0.56) GPR3ALDH1A1HPGDCYP1A2NUDT1
SCHEMBL15083814 0.82 ALDH1A1 (0.58) GPR3ALDH1A1HPGDCYP1A2NUDT1
SCHEMBL16432784 0.82 GPR3 (0.53) GPR3ALDH1A1HPGDCYP1A2NUDT1
SCHEMBL17194216 0.82 GPR3 (0.53) GPR3ALDH1A1HPGDCYP1A2NUDT1
SCHEMBL29693664 0.82 GPR3 (0.53) GPR3ALDH1A1HPGDCYP1A2NUDT1
SCHEMBL19988074 0.82 GPR3 (0.53) GPR3ALDH1A1HPGDCYP1A2NUDT1
SCHEMBL637147 0.82 GPR3 (0.53) GPR3ALDH1A1HPGDCYP1A2NUDT1
SCHEMBL14842813 0.82 ALDH1A1 (0.49) GPR3ALDH1A1HPGDCYP1A2NUDT1
SCHEMBL10171939 0.80 POLB (0.54) GPR3ALDH1A1HPGDHSD17B10PRNP
SCHEMBL28005447 0.79 ALDH1A1 (0.50) GPR3ALDH1A1HPGDCYP1A2NUDT1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230293519-A1 INTEGRIN INHIBITORS AND USES THEREOF IN COMBINATION WITH OTHER AGENTS PLIANT THERAPEUTICS INC (US) 2023-09-21 — — US disclosed
US-20220411366-A1 INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-12-29 — — US disclosed
US-11421223-B2 Processes and host cells for genome, pathway, and biomolecular engineering ENEVOLV, INC. (US) 2022-08-23 — — US disclosed
US-20190309289-A1 PROCESSES AND HOST CELLS FOR GENOME, PATHWAY, AND BIOMOLECULAR ENGINEERING ENEVOLV, INC. 2019-10-10 — — US disclosed
US-10370654-B2 Processes and host cells for genome, pathway, and biomolecular engineering ENEVOLV, INC. (US) 2019-08-06 — — US disclosed
US-20180320170-A1 PROCESSES AND HOST CELLS FOR GENOME, PATHWAY, AND BIOMOLECULAR ENGINEERING ENEVOLV, INC. 2018-11-08 — — US disclosed
US-9944925-B2 Processes and host cells for genome, pathway, and biomolecular engineering ENEVOLV, INC. 2018-04-17 — — US disclosed
US-9522915-B2 Method for preparing an important intermediate of linagliptin 2Y-CHEM, LTD. (CN) 2016-12-20 — — US disclosed
US-20160186168-A1 PROCESSES AND HOST CELLS FOR GENOME, PATHWAY, AND BIOMOLECULAR ENGINEERING ENEVOLV, INC. 2016-06-30 — — US disclosed
US-20160137610-A1 Compounds that Modulate EGFR Activity and Methods for Treating or Preventing Conditions Therewith Gatekeeper Pharmaceuticals, Inc. 2016-05-19 — — US disclosed
US-20150112062-A1 SUBSTITUTED QUINAZOLINES, THE PREPARATION THEREOF AND THE USE THEREOF IN PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INT (DE) 2015-04-23 — — US disclosed
US-8962636-B2 Substituted quinazolines, the preparation thereof and the use thereof in pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-24 — — US disclosed
CN-102675222-B Method for preparing multi-substituted quinazoline and heterocyclic pyrimidine derivative UNIV TSINGHUA 2014-11-26 — — CN disclosed
US-8883800-B2 Substituted quinazolines, the preparation thereof and the use thereof in pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-11 — — US disclosed
US-20140315865-A1 HYBRID DIAZENIUMDIOLATED COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHOD OF TREATING CANCER THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2014-10-23 — — US disclosed
US-20140228283-A1 SUBSTITUTED QUINAZOLINES, THE PREPARATION THEREOF AND THE USE THEREOF IN PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-08-14 — — US disclosed
US-20140011810-A1 Compounds that Modulate EGFR Activity and Methods for Treating or Preventing Conditions Therewith Gatekeeper Pharmaceuticals, Inc. (US) 2014-01-09 — — US disclosed
US-20130184204-A1 Substituted quinazolines, the preparation thereof and the use thereof in pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-18 — — US disclosed
US-20130137709-A1 Compounds that modulate EGFR activity and methods for treating or preventing conditions therewith Gatekeeper Pharmaceuticals, Inc. 2013-05-30 — — US disclosed
CN-102675222-A Method for preparing multi-substituted quinazoline and heterocyclic pyrimidine derivative UNIV TSINGHUA 2012-09-19 — — CN disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160137610-A1 Compounds that Modulate EGFR Activity and Methods for Treating or Preventing Conditions Therewith EGFR, ERBB2, BRCA1 GPR3 2636/4885ALDH1A1 2351/4885HPGD 1705/4885
US-20130137709-A1 Compounds that modulate EGFR activity and methods for treating or preventing conditions therewith EGFR, ERBB2, BRCA1 GPR3 2636/4885ALDH1A1 2351/4885HPGD 1705/4885
US-20230293519-A1 INTEGRIN INHIBITORS AND USES THEREOF IN COMBINATION WITH OTHER AGENTS ITGB6, ITGA5, ITGAV GPR3 1973/4885ALDH1A1 2893/4885HPGD 3044/4885
US-20220411366-A1 INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF ITGB1, ITGB2, ITGA2 GPR3 2438/4885ALDH1A1 399/4885HPGD 2579/4885
US-20140315865-A1 HYBRID DIAZENIUMDIOLATED COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHOD OF TREATING CANCER PARP4, PARP14, PARP1 GPR3 2548/4885ALDH1A1 267/4885HPGD 46/4885
US-20140011810-A1 Compounds that Modulate EGFR Activity and Methods for Treating or Preventing Conditions Therewith EGFR, ERBB2, BRCA1 GPR3 2636/4885ALDH1A1 2351/4885HPGD 1705/4885
US-20140228283-A1 SUBSTITUTED QUINAZOLINES, THE PREPARATION THEREOF AND THE USE THEREOF IN PHARMACEUTICAL COMPOSITIONS DPP4, DPP3, DPP7 GPR3 2362/4885ALDH1A1 918/4885HPGD 1441/4885
US-20150112062-A1 SUBSTITUTED QUINAZOLINES, THE PREPARATION THEREOF AND THE USE THEREOF IN PHARMACEUTICAL COMPOSITIONS DPP4, DPP3, DPP7 GPR3 2437/4885ALDH1A1 694/4885HPGD 1405/4885
US-20130184204-A1 Substituted quinazolines, the preparation thereof and the use thereof in pharmaceutical compositions DPP4, DPP3, DPP7 GPR3 2394/4885ALDH1A1 764/4885HPGD 1435/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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