SCHEMBL5207748

SCHEMBL5207748

CCc1cc(-c2cccnc2)nn1-c1ccc(NC(=O)c2cc3ccccc3n2C)cc1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.69
F9 P00740 2/20 0.48
F10 P00742 2/20 0.48
PTGDR2 Q9Y5Y4 2/20 0.46
ROCK1 Q13464 2/20 0.46
IDO1 P14902 1/20 0.46
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
NAMPT P43490 1/20 0.45
LMNA P02545 1/20 0.45
GRM4 Q14833 1/20 0.44
IMPDH2 P12268 1/20 0.43
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
KDM1A O60341 1/20 0.41
RCOR1 Q9UKL0 1/20 0.41

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
SCHEMBL7630545 0.85 EPHX2 (0.51) EPHX2F9F10PTGDR2ROCK1
SCHEMBL7238310 0.83 ROCK1 (0.47) EPHX2F9F10PTGDR2ROCK1
SCHEMBL3833306 0.82 EPHX2 (1.00) EPHX2ROCK1ALDH1A1MAPT
SCHEMBL6989729 0.77 ROCK1 (0.53) PTGDR2ROCK1ALDH1A1LMNAGRM4
SCHEMBL13492485 0.73 ABL1 (0.73)
SCHEMBL31589035 0.73 EPHX2 (0.58) EPHX2KDM4EALDH1A1LMNAMAPT
SCHEMBL7238788 0.72 USP8 (0.65) EPHX2KDM4EALDH1A1MAPT
SCHEMBL7234775 0.72 EPHX2 (0.64) EPHX2KDM4EALDH1A1LMNAMAPT
SCHEMBL6991668 0.71 RAB9A (0.62) EPHX2ROCK1KDM4EALDH1A1MAPT
SCHEMBL7232939 0.71 EPHX2 (0.61) EPHX2KDM4EALDH1A1MAPT

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1406892-B1 PHENYL PYRAZOLE DERIVATIVES AS SOLUBLE EPOXIDE HYDROLASE INHIBITORS BOEHRINGER INGELHEIM PHARMA (US) 2007-09-05 EP claimed
US-6890925-B2 Methods of using soluble epoxide hydrolase inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-05-10 US claimed
US-20040092567-A1 Methods of using soluble epoxide hydrolase inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC 2004-05-13 US claimed
EP-1406892-A1 PHENYL PYRAZOLE DERIVATIVES AS SOLUBLE EPOXIDE HYDROLASE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2004-04-14 EP claimed
US-20030022929-A1 Method of using soluble epoxide hydrolase inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-01-30 US claimed
WO-2003002555-A1 METHODS OF USING SOLUBLE EPOXIDE HYDROLASE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2003-01-09 WO claimed
EP-1406892-B1 PHENYL PYRAZOLE DERIVATIVES AS SOLUBLE EPOXIDE HYDROLASE INHIBITORS BOEHRINGER INGELHEIM PHARMA (US) 2007-09-05 EP disclosed
US-6890925-B2 Methods of using soluble epoxide hydrolase inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-05-10 US disclosed
US-6831082-B2 1-phenyl pyrazole derivatives; treating cardiovascular disease BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-12-14 US disclosed
US-20040092567-A1 Methods of using soluble epoxide hydrolase inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC 2004-05-13 US disclosed
EP-1406892-A1 PHENYL PYRAZOLE DERIVATIVES AS SOLUBLE EPOXIDE HYDROLASE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2004-04-14 EP disclosed
US-20030022929-A1 Method of using soluble epoxide hydrolase inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-01-30 US disclosed
US-6506747-B1 Method of treating an inflammatory disease which comprises administering to a patient in need of such treatment-a N-(4-(5-Ethyl-3-pyridin-3-yl-pyrazol-1-yl)phenyl)pyridine-3-carboxamide; BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-01-14 US disclosed
WO-2003002555-A1 METHODS OF USING SOLUBLE EPOXIDE HYDROLASE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2003-01-09 WO disclosed
WO-1999062885-A1 SUBSTITUTED 1-(4-AMINOPHENYL)PYRAZOLES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 1999-12-09 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 (2 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-20030022929-A1 Method of using soluble epoxide hydrolase inhibitors EPHX1, EPHX2, NCEH1 EPHX2 2/4885F9 1597/4885F10 1244/4885
US-20040092567-A1 Methods of using soluble epoxide hydrolase inhibitors EPHX1, EPHX2, NCEH1 EPHX2 2/4885F9 2249/4885F10 1833/4885

“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.