SCHEMBL954804

SCHEMBL954804

Cc1cccc(C)c1CC#N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
CYP1A2 P05177 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP2A6 P11509 1/20 0.38
ACHE P22303 1/20 0.36
EGFR P00533 1/20 0.36
SRC P12931 1/20 0.36
ALDH1A1 P00352 3/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
ENPP2 Q13822 1/20 0.35
CYP2C19 P33261 1/20 0.35
TAAR1 Q96RJ0 2/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPT P10636 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL8763095 0.87 ALDH1A1 (0.39) TSHRCYP1A2TDP1KDM4ECYP2A6
SCHEMBL956341 0.85 ALDH1A1 (0.43) TSHRCYP1A2TDP1KDM4ECYP2A6
SCHEMBL30755316 0.85 ALDH1A1 (0.43) TSHRCYP1A2TDP1KDM4ECYP2A6
SCHEMBL3075207 0.85 TRPA1 (0.45) TSHRCYP1A2TDP1KDM4EEGFR
SCHEMBL20249844 0.85 ACHE (0.43) TSHRTDP1KDM4EACHEALDH1A1
SCHEMBL28886003 0.85 CD44 (0.45) TSHRCYP1A2TDP1KDM4ECYP2A6
SCHEMBL11114860 0.85 TAAR1 (0.38) TSHRKDM4EALDH1A1TAAR1MEN1
SCHEMBL31459480 0.85 ACHE (0.43) TSHRTDP1KDM4EACHEALDH1A1
SCHEMBL31459423 0.85 TAAR1 (0.38) TSHRKDM4EALDH1A1TAAR1MEN1
SCHEMBL16888337 0.79 ALDH1A1 (0.38) TSHRCYP1A2TDP1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12006321-B2 Substituted pyrazolo[1,5-a]pyrimidines as apelin receptor agonists Sanford Burnham Prebys Medical Discovery Institute (US) 2024-06-11 US disclosed
US-20230225201-A1 Organic Light Emitting Diode and Device Comprising the Same NOVALED GMBH (DE) 2023-07-13 US disclosed
US-11691938-B2 Process for preparing 2,6-dialkylphenylacetic acids BAYER AKTIENGESELLSCHAFT (DE) 2023-07-04 US disclosed
US-11691938-B2 Process for preparing 2,6-dialkylphenylacetic acids BAYER AKTIENGESELLSCHAFT (DE) 2023-07-04 US disclosed
US-11691938-B2 Process for preparing 2,6-dialkylphenylacetic acids BAYER AKTIENGESELLSCHAFT (DE) 2023-07-04 US disclosed
US-20230037225-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINES AS APELIN RECEPTOR AGONISTS Sanford Burnham Prebys Medical Discovery Institute 2023-02-02 US disclosed
US-20230037225-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINES AS APELIN RECEPTOR AGONISTS Sanford Burnham Prebys Medical Discovery Institute 2023-02-02 US disclosed
WO-2022222911-A1 PYRIMIDONE COMPOUND AND USE THEREOF 武汉人福创新药物研发中心有限公司 2022-10-27 WO disclosed
CN-115215862-A Pyrimidone compounds and uses thereof 武汉人福创新药物研发中心有限公司 2022-10-21 CN disclosed
US-11345705-B2 Substituted pyrazolo[1,5-a]pyrimidines as apelin receptor agonists Sanford Burnham Prebys Medical Discovery Institute (US) 2022-05-31 US disclosed
US-6441237-B1 DRUGS; ANTIARRHTHYMIA AGENTS, ANTIISCHEMIC AGENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-08-27 US disclosed
CN-1083452-C Pyrido (2, 3 -d) pyrimidines for inbibiting protein tyrosine kinase mediated cellular proliferation WARNER LAMBERT CO (US) 2002-04-24 CN disclosed
EP-1154983-A1 NOVEL SUBSTITUTED 3-PHENOXY AND 3-PHENYLALKYLOXY-2-PHENYL-PROPYLAMINES Boehringer Ingelheim Pharma KG (DE) 2001-11-21 EP disclosed
WO-2000048987-A1 NOVEL SUBSTITUTED 3-PHENOXY AND 3-PHENYLALKYLOXY-2-PHENYL-PROPYLAMINES BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-08-24 WO disclosed
US-5945422-A ANTICANCER AGENTS; ATHEROSCLEROSIS; RESTENOSIS; PSORIASIS WARNER-LAMBERT COMPANY (US) 1999-08-31 US disclosed
CN-1183099-A Pyrido [2, 3-d ] pyrimidines for inhibiting protein tyrosine kinase mediated cell proliferation WARNER LAMBERT CO (US) 1998-05-27 CN disclosed
US-5733914-A Pyrido 2, 3-d!pyrimidines for inhibiting protein tyrosine kinase mediated cellular proliferation WARNER-LAMBERT COMPANY (US) 1998-03-31 US disclosed
EP-0823908-A1 PYRIDO 2,3-d]PYRIMIDINES FOR INHIBITING PROTEIN TYROSINE KINASE MEDIATED CELLULAR PROLIFERATION WARNER-LAMBERT COMPANY (US) 1998-02-18 EP disclosed
US-5620981-A ANTICARCINOGENIC AGENTS, ATHEROSCLEROSIS, RESTENOSIS, PSORIASIS WARNER-LAMBERT COMPANY (US) 1997-04-15 US disclosed
WO-1996034867-A1 PYRIDO[2,3-d]PYRIMIDINES FOR INHIBITING PROTEIN TYROSINE KINASE MEDIATED CELLULAR PROLIFERATION WARNER-LAMBERT COMPANY (US) 1996-11-07 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 (4 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-11345705-B2 Substituted pyrazolo[1,5-a]pyrimidines as apelin receptor agonists APLNR, AP3B1, AGTR1 TSHR 349/4885CYP1A2 2146/4885TDP1 1348/4885
US-20230037225-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINES AS APELIN RECEPTOR AGONISTS APLNR, AP3B1, AGTR1 TSHR 349/4885CYP1A2 2146/4885TDP1 1348/4885
US-12006321-B2 Substituted pyrazolo[1,5-a]pyrimidines as apelin receptor agonists APLNR, AP3B1, AGTR1 TSHR 349/4885CYP1A2 2146/4885TDP1 1348/4885
US-11691938-B2 Process for preparing 2,6-dialkylphenylacetic acids ADH1C, ADH1A, ADH5 TSHR 4521/4885CYP1A2 43/4885TDP1 3946/4885

“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.