SCHEMBL185524

SCHEMBL185524

CC(C)(C)OC(=O)n1nc(N)c2c(C#N)cccc21

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 1/20 0.39
NR1H2 P55055 4/20 0.36
NR1H3 Q13133 1/20 0.35
MAP2K1 Q02750 1/20 0.35
F12 P00748 1/20 0.35
GPR119 Q8TDV5 4/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
JAK1 P23458 3/20 0.34
SMARCA2 P51531 1/20 0.34
SMARCA4 P51532 1/20 0.34
PBRM1 Q86U86 1/20 0.34
FAAH O00519 1/20 0.33
JAK2 O60674 2/20 0.33
TTK P33981 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 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
SCHEMBL185525 0.81 ALDH1A1 (0.38) MAP2K1KDM4EALDH1A1JAK1JAK2
SCHEMBL186237 0.80 MAP2K4 (0.41) MAP2K4NR1H2KDM4EALDH1A1SMARCA2
SCHEMBL421224 0.77 KDR (0.41) MAP2K4NR1H2NR1H3ALDH1A1SMARCA2
SCHEMBL31362222 0.76 ELANE (0.38) MAP2K4NR1H2NR1H3GPR119KDM4E
SCHEMBL28871230 0.75 MAP2K4 (0.44) MAP2K4NR1H2ALDH1A1SMARCA2SMARCA4
SCHEMBL29967811 0.75 MAP2K4 (0.44) MAP2K4NR1H2ALDH1A1SMARCA2SMARCA4
SCHEMBL1980736 0.75 MAP2K4 (0.39) MAP2K4NR1H2GPR119
SCHEMBL5822952 0.75 MAP2K4 (0.47) MAP2K4NR1H2F12SMARCA2SMARCA4
SCHEMBL21267096 0.74 DCPS (0.44) NR1H2
SCHEMBL3606807 0.74 MAP2K4 (0.40) MAP2K4NR1H2NR1H3KDM4EALDH1A1

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 21 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-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
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 2141/4885NR1H2 358/4885NR1H3 288/4885
US-20130030031-A1 Novel Compounds CYP3A4, CYP3A43, ABCG2 MAP2K4 4641/4885NR1H2 764/4885NR1H3 826/4885
US-20100216860-A1 NOVEL COMPOUNDS CYP3A4, CYP3A43, ABCG2 MAP2K4 4641/4885NR1H2 764/4885NR1H3 826/4885

“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.