SCHEMBL185970

SCHEMBL185970

COc1cccc2c1c(N)nn2Cc1ccc(C(N)=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 9/20 0.52
PLA2G2A P14555 5/20 0.44
CYP2D6 P10635 1/20 0.43
HDAC1 Q13547 2/20 0.42
NAMPT P43490 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
RORC P51449 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
SCHEMBL185508 0.89 CCR4 (0.60) CCR4PLA2G2A
SCHEMBL185722 0.83 CCR4 (0.54) CCR4
SCHEMBL27431 0.80 CCR4 (0.47) CCR4PLA2G2A
SCHEMBL186393 0.77 CSF1R (0.47) CCR4RORC
SCHEMBL27571 0.77 CCR4 (0.62) CCR4
SCHEMBL186421 0.76 CCR4 (0.88) CCR4
SCHEMBL185937 0.76 CCR4 (0.74) CCR4
SCHEMBL185706 0.73 CCR4 (0.49) CCR4PLA2G2AALDH1A1
SCHEMBL22678941 0.73 CCR4 (0.66) CCR4
SCHEMBL17876 0.73 BUB1 (0.47) CCR4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-8507543-B2 Compounds GLAXO GROUP LIMITED (GB) 2013-08-13 US disclosed
US-8507543-B2 Compounds GLAXO GROUP LIMITED (GB) 2013-08-13 US disclosed
US-20130030031-A1 Novel Compounds GLAXO GROUP LIMITED (GB) 2013-01-31 US disclosed
US-20130030031-A1 Novel Compounds GLAXO GROUP LIMITED (GB) 2013-01-31 US disclosed
US-20130030031-A1 Novel Compounds GLAXO GROUP LIMITED (GB) 2013-01-31 US disclosed
US-8357716-B2 Pyrazole derivatives used as CCR4 receptor antagonists GLAXO GROUP LIMITED (GB) 2013-01-22 US disclosed
US-8357716-B2 Pyrazole derivatives used as CCR4 receptor antagonists GLAXO GROUP LIMITED (GB) 2013-01-22 US disclosed
US-8304446-B2 Compounds GLAXO GROUP LIMITED (GB) 2012-11-06 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
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-20120015932-A1 Pyrazole Derivatives Used as CCR4 Receptor Antagonists CCR4, CCR3, CCR1 CCR4 1/4885PLA2G2A 4550/4885CYP2D6 671/4885
US-20130030031-A1 Novel Compounds CYP3A4, CYP3A43, ABCG2 CCR4 3196/4885PLA2G2A 4499/4885CYP2D6 26/4885
US-20100216860-A1 NOVEL COMPOUNDS CYP3A4, CYP3A43, ABCG2 CCR4 3196/4885PLA2G2A 4499/4885CYP2D6 26/4885

“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.