SCHEMBL656922

SCHEMBL656922

COCCOc1cccc(N)c1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.64
CYP3A4 P08684 2/20 0.63
TP53 P04637 1/20 0.63
ALDH1A1 P00352 2/20 0.59
MAOB P27338 2/20 0.53
APP P05067 1/20 0.49
MAPK1 P28482 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
SYK P43405 1/20 0.45
LTA4H P09960 1/20 0.44
CHEK1 O14757 1/20 0.44
CHEK2 O96017 1/20 0.44
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
HSP90AA1 P07900 1/20 0.42
MAPT P10636 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
SCHEMBL29684573 1.00 TSHR (0.64) TSHRCYP3A4TP53ALDH1A1MAOB
Hydrochloric Acid SCHEMBL2480846 0.98 TSHR (0.62) TSHRCYP3A4TP53ALDH1A1MAOB
SCHEMBL10584943 0.95 TSHR (0.58) TSHRCYP3A4TP53ALDH1A1MAOB
SCHEMBL16758752 0.95 TSHR (0.58) TSHRCYP3A4TP53ALDH1A1MAOB
SCHEMBL14839599 0.95 TSHR (0.58) TSHRCYP3A4TP53ALDH1A1MAOB
SCHEMBL15720636 0.95 TSHR (0.58) TSHRCYP3A4TP53ALDH1A1MAOB
SCHEMBL2062745 0.91 TSHR (0.67) TSHRCYP3A4TP53ALDH1A1MAOB
SCHEMBL3791936 0.90 CYP3A4 (0.69) TSHRCYP3A4TP53ALDH1A1MAOB
SCHEMBL29502076 0.90 CYP3A4 (0.69) TSHRCYP3A4TP53ALDH1A1MAOB
SCHEMBL15723552 0.86 MAPK1 (0.58) TSHRCYP3A4TP53ALDH1A1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3906233-B1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE ICAHN SCHOOL MED MOUNT SINAI (US) 2024-01-31 EP disclosed
WO-2022199589-A1 PYRIMIDINE DERIVATIVES 南京明德新药研发有限公司 2022-09-29 WO disclosed
US-20220162182-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-05-26 US disclosed
WO-2022086892-A1 INTERLEUKIN 4 (IL4)-INDUCED GENE 1 INHIBITORS AND METHODS OF USE THEREOF CALITHERA BIOSCIENCES, INC. (US) 2022-04-28 WO disclosed
US-20210403415-A1 COMPOUNDS AND METHODS TO ATTENUATE TUMOR PROGRESSION AND METASTASIS THE TRUSTEES OF INDIANA UNIVERSITY 2021-12-30 US disclosed
EP-3906233-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE Icahn School of Medicine at Mount Sinai (US) 2021-11-10 EP disclosed
US-11007193-B2 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2021-05-18 US disclosed
US-10828301-B2 2,4-pyrimidinediamine compounds and their uses Rigel Pharmceuticals, Inc. (US) 2020-11-10 US disclosed
US-10752624-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2020-08-25 US disclosed
US-10709703-B2 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2020-07-14 US disclosed
EP-1463714-A2 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS Amgen Inc. (US) 2004-10-06 EP disclosed
US-20040029902-A1 Antiinflamamtory agents MIDCAP FINANCIAL TRUST 2004-02-12 US disclosed
US-20030195201-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2003-10-16 US disclosed
WO-2003063794-A2 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS, INC. (US) 2003-08-07 WO disclosed
WO-2003049702-A2 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2003-06-19 WO disclosed
EP-0783505-B1 PYRROLO[2,3-d]PYRIMIDINES AND THEIR USE NOVARTIS AG (CH) 2001-03-07 EP disclosed
US-5869485-A Pyrrolo 2,3-d!pyrimidines and their use NOVARTIS FINANCE CORP. (US) 1999-02-09 US disclosed
EP-0783505-A1 PYRROLO[2,3-d]PYRIMIDINES AND THEIR USE Novartis AG (CH) 1997-07-16 EP disclosed
WO-1996010028-A1 PYRROLO[2,3-d]PYRIMIDINES AND THEIR USE NOVARTIS AG (CH) 1996-04-04 WO disclosed
EP-0303360-A1 Electroconductive polymers COOKSON GROUP plc (GB) 1989-02-15 EP 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-20030195201-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 TSHR 602/4885CYP3A4 2069/4885TP53 2025/4885
US-20210403415-A1 COMPOUNDS AND METHODS TO ATTENUATE TUMOR PROGRESSION AND METASTASIS SLC10A1, CCL11, TSG101 TSHR 4262/4885CYP3A4 2986/4885TP53 16/4885
US-20040029902-A1 Antiinflamamtory agents FCER2, FCGR1A, HNMT TSHR 1347/4885CYP3A4 2224/4885TP53 961/4885
US-20220162182-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE MAP3K20, MAP3K1, PACSIN2 TSHR 715/4885CYP3A4 4468/4885TP53 883/4885
US-10709703-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A TSHR 1524/4885CYP3A4 1599/4885TP53 1171/4885
US-11007193-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A TSHR 1524/4885CYP3A4 1599/4885TP53 1171/4885
US-10828301-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A TSHR 1524/4885CYP3A4 1599/4885TP53 1171/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK TSHR 1024/4885CYP3A4 4148/4885TP53 2073/4885

“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.