SCHEMBL10328043

SCHEMBL10328043

Cn1nnc2ccncc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 3/20 0.55
KEAP1 Q14145 1/20 0.55
ALDH1A1 P00352 2/20 0.41
HCAR3 P49019 1/20 0.40
KDM4E B2RXH2 1/20 0.38
NFATC1 O95644 1/20 0.37
GSK3B P49841 1/20 0.37
DYRK1A Q13627 1/20 0.37
PDE2A O00408 1/20 0.36
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 1/20 0.35
TUBA4A P68366 1/20 0.35
TUBB4B P68371 1/20 0.35
TUBB3 Q13509 1/20 0.35
TUBB2A Q13885 1/20 0.35
TUBB8 Q3ZCM7 1/20 0.35
TUBA3E Q6PEY2 1/20 0.35
TUBA1A Q71U36 1/20 0.35

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
SCHEMBL10328319 0.83 SLC9A1 (0.55) SLC9A1KEAP1ALDH1A1HCAR3KDM4E
SCHEMBL19191102 0.79 ALDH1A1 (0.41) SLC9A1KEAP1ALDH1A1KDM4ENFATC1
SCHEMBL7017031 0.75 POLB (0.55) SLC9A1KEAP1ALDH1A1KDM4EPDE2A
SCHEMBL7485062 0.75 ALDH1A1 (0.55) SLC9A1KEAP1ALDH1A1KDM4EPDE2A
SCHEMBL23344184 0.75 HPGD (0.44) SLC9A1KEAP1ALDH1A1HCAR3KDM4E
SCHEMBL9911126 0.75 SLC9A1 (0.59) SLC9A1ALDH1A1HCAR3KDM4EDYRK1A
SCHEMBL10295524 0.75 HCAR3 (0.44) SLC9A1KEAP1ALDH1A1HCAR3KDM4E
SCHEMBL10328378 0.73 ALDH1A1 (0.38) SLC9A1KEAP1ALDH1A1
SCHEMBL24668542 0.72 SLC9A1 (0.39) SLC9A1ALDH1A1KDM4EPDE2ATUBB4A
SCHEMBL16079121 0.71 SLC9A1 (0.50) SLC9A1KEAP1ALDH1A1HCAR3KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11661437-B2 Steroid derivative regulators, method for preparing the same, and uses thereof JIANGSU HANSOH PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-05-30 US disclosed
EP-3498701-B1 PRMT5 INHIBITORS AND USES THEREOF EPIZYME INC (US) 2023-02-22 EP disclosed
EP-3694858-B1 BICYCLIC COMPOUNDS FOR USE AS RIP1 KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2023-01-11 EP disclosed
US-20220017565-A1 STEROID DERIVATIVE REGULATORS, METHOD FOR PREPARING THE SAME, AND USES THEREOF SHANGHAI HANSOH BIOMEDICAL CO., LTD. (CN) 2022-01-20 US disclosed
US-11173145-B2 Compounds useful as inhibitors of indoleamine 2,3-dioxygenase and/or tryptophan dioxygenase BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2021-11-16 US disclosed
EP-3750909-A1 STEROID DERIVATIVE REGULATORS, METHOD FOR PREPARING THE SAME, AND USES THEREOF Jiangsu Hansoh Pharmaceutical Group Co., Ltd. (CN) 2020-12-16 EP disclosed
EP-3750908-A1 STEROID DERIVATIVE REGULATORS, METHOD FOR PREPARING THE SAME, AND USES THEREOF Jiangsu Hansoh Pharmaceutical Group Co., Ltd. (CN) 2020-12-16 EP disclosed
EP-2935247-B1 PRMT5 INHIBITORS AND USES THEREOF EPIZYME INC (US) 2019-08-28 EP disclosed
WO-2019154257-A1 STEROID DERIVATIVE REGULATORS, METHOD FOR PREPARING THE SAME, AND USES THEREOF 江苏豪森药业集团有限公司 2019-08-15 WO disclosed
WO-2019154247-A1 STEROID DERIVATIVE REGULATORS, METHOD FOR PREPARING THE SAME, AND USES THEREOF 江苏豪森药业集团有限公司 2019-08-15 WO disclosed
US-20150191432-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2015-07-09 US disclosed
US-8940726-B2 PRMT5 inhibitors and uses thereof Epizyme, Inc. (US) 2015-01-27 US disclosed
US-8471006-B2 Coupling agents for peptide synthesis UNIVERSITY OF MASSACHUSETTS (US) 2013-06-25 US disclosed
US-20120277428-A1 NEW COUPLING AGENTS FOR PEPTIDE SYNTHESIS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-11-01 US disclosed
US-8217169-B2 Coupling agents for peptide synthesis UNIVERSITY OF MASSACHUSETTS (US) 2012-07-10 US disclosed
US-20110059976-A1 PYRIDO PYRIMIDINONES, DIHYDRO PYRIMIDO PYRIMIDINONES AND PTERIDINONES USEFUL AS RAF KINASE INHIBITORS SUNESIS PHARMACEUTICALS, INC. 2011-03-10 US disclosed
US-20110028720-A1 New Coupling Agents for Peptide Synthesis NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-02-03 US disclosed
US-7812158-B2 Coupling agents for peptide synthesis UNIVERSITY OF MASSACHUSETTS (US) 2010-10-12 US disclosed
US-7767687-B2 Pyrido pyrimidinones, dihydro pyrimido pyrimidinones and pteridinones useful as RAF kinase inhibitors BIOGEN IDEC MA INC. (US) 2010-08-03 US disclosed
US-20070112196-A1 New coupling agents for peptide synthesis NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-05-17 US 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 (8 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-20120277428-A1 NEW COUPLING AGENTS FOR PEPTIDE SYNTHESIS NGLY1, NPPA, VIP SLC9A1 3725/4885KEAP1 1234/4885ALDH1A1 4753/4885
US-20150191432-A1 PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT6 SLC9A1 3246/4885KEAP1 407/4885ALDH1A1 2460/4885
US-20070112196-A1 New coupling agents for peptide synthesis NGLY1, NPPA, VIP SLC9A1 3602/4885KEAP1 1668/4885ALDH1A1 4756/4885
US-11661437-B2 Steroid derivative regulators, method for preparing the same, and uses thereof GABRR1, GABRB1, GABRD SLC9A1 4606/4885KEAP1 2860/4885ALDH1A1 1040/4885
US-11173145-B2 Compounds useful as inhibitors of indoleamine 2,3-dioxygenase and/or tryptophan dioxygenase TPH2, TPH1, IDO2 SLC9A1 2989/4885KEAP1 694/4885ALDH1A1 505/4885
US-20110059976-A1 PYRIDO PYRIMIDINONES, DIHYDRO PYRIMIDO PYRIMIDINONES AND PTERIDINONES USEFUL AS RAF KINASE INHIBITORS BRAF, RAF1, ARAF SLC9A1 4341/4885KEAP1 878/4885ALDH1A1 1475/4885
US-20110028720-A1 New Coupling Agents for Peptide Synthesis NGLY1, NPPA, VIP SLC9A1 3725/4885KEAP1 1234/4885ALDH1A1 4753/4885
US-20220017565-A1 STEROID DERIVATIVE REGULATORS, METHOD FOR PREPARING THE SAME, AND USES THEREOF GABRR1, GABRB1, GABRD SLC9A1 4606/4885KEAP1 2860/4885ALDH1A1 1040/4885

“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.