SCHEMBL3319948

SCHEMBL3319948

Nc1ccc2c(cnn2Cc2ccc(F)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 4/20 0.50
EGFR P00533 3/20 0.50
HTR2A P28223 2/20 0.49
HTR2C P28335 2/20 0.49
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
RECQL P46063 1/20 0.46
MITF O75030 1/20 0.44
PKM P14618 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
BRD4 O60885 2/20 0.42
SLC2A1 P11166 1/20 0.42
CHEK1 O14757 1/20 0.42
AURKA O14965 1/20 0.42
DAPK3 O43293 1/20 0.42
CSNK1A1 P48729 1/20 0.42
GSK3A P49840 1/20 0.42
LIMK1 P53667 1/20 0.42

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
SCHEMBL3321902 0.88 HTR2A (0.49) ERBB2EGFRHTR2AHTR2CRECQL
SCHEMBL29992643 0.85 RECQL (0.66) ERBB2EGFRLMNAMAPTRECQL
SCHEMBL870390 0.85 RECQL (0.66) ERBB2EGFRLMNAMAPTRECQL
SCHEMBL30729935 0.85 EGFR (0.53) ERBB2EGFRRECQLMET
SCHEMBL3375418 0.85 GRIN1 (0.49) ERBB2EGFRHTR2AHTR2CRECQL
SCHEMBL215702 0.85 EGFR (0.53) ERBB2EGFRRECQLMET
SCHEMBL31661539 0.84 KDM4E (0.49) ERBB2EGFRHTR2AHTR2CRECQL
SCHEMBL3324092 0.84 KDM4E (0.49) ERBB2EGFRHTR2AHTR2CRECQL
Hydrochloric Acid SCHEMBL1353996 0.83 EGFR (0.52) ERBB2EGFRMET
SCHEMBL21058140 0.82 RECQL (0.46) ERBB2EGFRHTR2AHTR2CLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3728233-B1 SUBSTITUTED PYRROLIDINE AMIDES II GRUENENTHAL GMBH (DE) 2022-04-20 EP disclosed
US-20160339027-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2016-11-24 US disclosed
US-20160051551-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2016-02-25 US disclosed
US-9199973-B2 Bicyclic heteroaromatic compounds as protein tyrosine kinase inhibitors NOVARTIS AG (CH) 2015-12-01 US disclosed
US-20150065527-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2015-03-05 US disclosed
US-8912205-B2 Bicyclic heteroaromatic compounds as protein tyrosine kinase inhibitors GLAXOSMITHKLINE LLC (US) 2014-12-16 US disclosed
US-20130310562-A1 Bicyclic Heteroaromatic Compounds As Protein Tyrosine Kinase Inhibitors GLAXOSMITHKLINE LLC (US) 2013-11-21 US disclosed
US-8513262-B2 Bicyclic heteroaromatic compounds as protein tyrosine kinase inhibitors GLAXOSMITHKLINE LLC (US) 2013-08-20 US disclosed
CN-101367794-B Preparation method for quinazoline derivants and medical uses thereof SHANGHAI HENGRUI PHARM CO LTD 2013-07-10 CN disclosed
US-20100120804-A1 Bicyclic heteroaromatic compounds as protein tyrosine kinase inhibitors NOVARTIS AG (CH) 2010-05-13 US disclosed
EP-0912570-B1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS GLAXO GROUP LTD (GB) 2003-09-10 EP disclosed
EP-1304110-A2 Bicyclic heteroaromatic compounds as protein tyrosine kinase inhibitors GLAXO GROUP LIMITED (GB) 2003-04-23 EP disclosed
EP-0912559-B1 FUSED HETEROCYCLIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS GLAXO GROUP LTD (GB) 2002-11-06 EP disclosed
US-20020147205-A1 Heterocyclic compounds NOVARTIS AG (CH) 2002-10-10 US disclosed
US-20020147214-A1 Heterocyclic compounds NOVARTIS AG (CH) 2002-10-10 US disclosed
US-6391874-B1 ANTICARCINOGENIC AGENTS; SKIN DISORDERS SMITHKLINE BEECHAM CORPORATION 2002-05-21 US disclosed
US-6174889-B1 PROTEIN TYROSINE KINASE INHIBITORS RELATED TO BIOISOSTERES OF QUINOLINE AND QUINAZOLINE DERIVATIVES; ANTICARCINOGENIC AND -TUMOR AGENTS; PSORIASIS; RESTENOSIS; RHEUMATOID ARTHRITIS, AUTOIMMUNE DISEASE, ALLERGY, ASTHMA AND GRAFT REJECTION GLAXO WELLCOME INC. 2001-01-16 US disclosed
CN-1230187-A Bicyclic heteroaromatic compounds as protein tyrosine kinase inhibitors GLAXO GROUP LTD (GB) 1999-09-29 CN disclosed
EP-0912570-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 1999-05-06 EP disclosed
WO-1998002438-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 1998-01-22 WO 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 (7 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-20020147205-A1 Heterocyclic compounds ERBB2, ERBB3, ERBB4 ERBB2 1/4885EGFR 4/4885HTR2A 704/4885
US-20160339027-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS ABL1, ERBB2, SRC ERBB2 2/4885EGFR 7/4885HTR2A 1680/4885
US-20020147214-A1 Heterocyclic compounds BRAF, ABL1, CSK ERBB2 35/4885EGFR 354/4885HTR2A 1660/4885
US-20100120804-A1 Bicyclic heteroaromatic compounds as protein tyrosine kinase inhibitors ABL1, ERBB2, CDK2 ERBB2 2/4885EGFR 69/4885HTR2A 1892/4885
US-20130310562-A1 Bicyclic Heteroaromatic Compounds As Protein Tyrosine Kinase Inhibitors ABL1, ERBB2, SRC ERBB2 2/4885EGFR 7/4885HTR2A 1680/4885
US-20160051551-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS ABL1, ERBB2, SRC ERBB2 2/4885EGFR 7/4885HTR2A 1680/4885
US-20150065527-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS ABL1, ERBB2, SRC ERBB2 2/4885EGFR 7/4885HTR2A 1680/4885

“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.