SCHEMBL17876

SCHEMBL17876

COc1cccc2c1c(N)nn2Cc1cccc(C#N)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BUB1 O43683 1/20 0.47
GRIN1 Q05586 2/20 0.43
GRIN2B Q13224 2/20 0.43
CCR4 P51679 8/20 0.42
ROCK2 O75116 2/20 0.42
EGFR P00533 1/20 0.42
ERBB2 P04626 1/20 0.42
CYP19A1 P11511 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
ALDH1A1 P00352 1/20 0.40
PIK3R1 P27986 1/20 0.40
PIK3CA P42336 1/20 0.40
P2RX7 Q99572 1/20 0.39
ADORA3 P0DMS8 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38
ADORA1 P30542 1/20 0.38

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
SCHEMBL18560 0.87 GRIN1 (0.47) BUB1GRIN1GRIN2BCCR4ROCK2
SCHEMBL18001 0.83 CCR4 (0.56) CCR4
SCHEMBL185210 0.82 CCR4 (0.42) BUB1GRIN1GRIN2BCCR4ROCK2
SCHEMBL185631 0.82 CCR4 (0.41) BUB1GRIN1GRIN2BCCR4ROCK2
SCHEMBL186021 0.82 GRIN1 (0.44) BUB1GRIN1GRIN2BEGFRERBB2
SCHEMBL186627 0.82 CYP19A1 (0.43) BUB1GRIN1GRIN2BEGFRERBB2
SCHEMBL185722 0.82 CCR4 (0.54) CCR4CYP19A1
SCHEMBL185508 0.79 CCR4 (0.60) CCR4
SCHEMBL186393 0.79 CSF1R (0.47) CCR4
SCHEMBL30129 0.78 CCR4 (0.50) BUB1CCR4P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3738962-B1 SALTS OF A COMPOUND AND USE THEREOF MEDSPRING INTERNATIONAL LTD (CN) 2023-08-02 EP disclosed
EP-3738962-B1 SALTS OF A COMPOUND AND USE THEREOF MEDSPRING INTERNATIONAL LTD (CN) 2023-08-02 EP disclosed
CN-110028501-B Compound and preparation method and application thereof 迈德欣国际有限公司 2022-02-22 CN disclosed
US-20210078985-A1 COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF MEDSPRING INTERNATIONAL LIMITED (CN) 2021-03-18 US disclosed
US-20210078985-A1 COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF MEDSPRING INTERNATIONAL LIMITED (CN) 2021-03-18 US disclosed
EP-3738962-A1 COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF Medspring International Limited (CN) 2020-11-18 EP disclosed
EP-3738962-A1 COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF Medspring International Limited (CN) 2020-11-18 EP disclosed
EP-2401270-B1 PYRAZOLE DERIVATIVES USED AS CCR4 RECEPTOR ANTAGONISTS GLAXO GROUP LTD (GB) 2013-10-16 EP disclosed
EP-2401270-B1 PYRAZOLE DERIVATIVES USED AS CCR4 RECEPTOR ANTAGONISTS GLAXO GROUP LTD (GB) 2013-10-16 EP disclosed
US-8507543-B2 Compounds GLAXO GROUP LIMITED (GB) 2013-08-13 US disclosed
WO-2012025473-A1 CC.CHEMOKINE RECEPTOR 4 ANTAGONISTS GLAXO GROUP LIMITED (GB) 2012-03-01 WO disclosed
US-20120015932-A1 Pyrazole Derivatives Used as CCR4 Receptor Antagonists GLAXO GROUP LIMITED (GB) 2012-01-19 US disclosed
US-20120015932-A1 Pyrazole Derivatives Used as CCR4 Receptor Antagonists GLAXO GROUP LIMITED (GB) 2012-01-19 US disclosed
US-20120015932-A1 Pyrazole Derivatives Used as CCR4 Receptor Antagonists GLAXO GROUP LIMITED (GB) 2012-01-19 US disclosed
EP-2401270-A1 PYRAZOLE DERIVATIVES USED AS CCR4 RECEPTOR ANTAGONISTS Glaxo Group Limited (GB) 2012-01-04 EP disclosed
WO-2010097395-A1 PYRAZOLE DERIVATIVES USED AS CCR4 RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2010-09-02 WO disclosed
WO-2010097395-A1 PYRAZOLE DERIVATIVES USED AS CCR4 RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2010-09-02 WO disclosed
US-20100216860-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-08-26 US disclosed
US-20100216860-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-08-26 US disclosed
US-20100216860-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-08-26 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 (3 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-20210078985-A1 COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF CCR4, CCR1, CCL11 BUB1 3523/4885GRIN1 1430/4885GRIN2B 2656/4885
US-20120015932-A1 Pyrazole Derivatives Used as CCR4 Receptor Antagonists CCR4, CCR3, CCR1 BUB1 1013/4885GRIN1 1722/4885GRIN2B 1429/4885
US-20100216860-A1 NOVEL COMPOUNDS CYP3A4, CYP3A43, ABCG2 BUB1 844/4885GRIN1 3405/4885GRIN2B 2719/4885

“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.