SCHEMBL186237

SCHEMBL186237

COc1cccc2c1c(N)nn2C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 1/20 0.41
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39
GAA P10253 2/20 0.39
BRD4 O60885 1/20 0.38
P2RX3 P56373 1/20 0.38
NR1H2 P55055 1/20 0.37
KCNA5 P22460 1/20 0.37
PLA2G2A P14555 5/20 0.37
DCPS Q96C86 1/20 0.37
KDM4E B2RXH2 2/20 0.36
SMARCA2 P51531 1/20 0.35
SMARCA4 P51532 1/20 0.35
PBRM1 Q86U86 1/20 0.35
CNR2 P34972 1/20 0.35
FAAH O00519 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
SCHEMBL21267096 0.83 DCPS (0.44) MAPTBRD4NR1H2DCPSCNR2
SCHEMBL185524 0.80 MAP2K4 (0.39) MAP2K4ALDH1A1NR1H2KDM4ESMARCA2
SCHEMBL185837 0.80 BRD4 (0.39) ALDH1A1MAPTGAABRD4PLA2G2A
SCHEMBL421224 0.79 KDR (0.41) MAP2K4ALDH1A1NR1H2SMARCA2SMARCA4
SCHEMBL28871230 0.77 MAP2K4 (0.44) MAP2K4ALDH1A1NR1H2SMARCA2SMARCA4
SCHEMBL29967811 0.77 MAP2K4 (0.44) MAP2K4ALDH1A1NR1H2SMARCA2SMARCA4
SCHEMBL5822952 0.77 MAP2K4 (0.47) MAP2K4NR1H2SMARCA2SMARCA4PBRM1
SCHEMBL3606807 0.76 MAP2K4 (0.40) MAP2K4ALDH1A1NR1H2KDM4ESMARCA2
SCHEMBL23442398 0.76 RPS6KA2 (0.40) MAP2K4ALDH1A1MAPTGAAP2RX3
SCHEMBL3607147 0.75 MAP2K4 (0.41) MAP2K4ALDH1A1NR1H2KDM4ESMARCA2

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 22 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
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-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 MAP2K4 2141/4885ALDH1A1 2676/4885MAPT 1942/4885
US-20130030031-A1 Novel Compounds CYP3A4, CYP3A43, ABCG2 MAP2K4 4641/4885ALDH1A1 772/4885MAPT 323/4885
US-20100216860-A1 NOVEL COMPOUNDS CYP3A4, CYP3A43, ABCG2 MAP2K4 4641/4885ALDH1A1 772/4885MAPT 323/4885

“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.