SCHEMBL5204573

SCHEMBL5204573

N#CCCCOc1ccc(C(=O)Nc2ccc(-n3nc(-c4cccnc4)cc3C#N)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 6/20 0.52
MAPT P10636 2/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
ABL1 P00519 3/20 0.44
BCR P11274 3/20 0.44
PDGFRB P09619 1/20 0.44
PDGFRA P16234 1/20 0.44
PRKCA P17252 1/20 0.44
TEK Q02763 2/20 0.42
RXFP1 Q9HBX9 1/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
LMNA P02545 1/20 0.42
STAT3 P40763 1/20 0.42
SMN1; SMN2 Q16637 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
SCHEMBL7235236 0.91 EPHX2 (0.52) EPHX2MAPTABL1BCRPDGFRB
SCHEMBL5205222 0.87 EPHX2 (0.48) EPHX2MAPTNPC1RAB9AABL1
SCHEMBL7635971 0.86 MAPT (0.46) EPHX2MAPTNPC1RAB9AABL1
SCHEMBL7233535 0.85 CACNA1B (0.42) EPHX2MAPT
SCHEMBL7239115 0.83 MAPT (0.46) MAPTNPC1RAB9AABL1BCR
SCHEMBL7240172 0.79 EPHX2 (0.48) EPHX2MAPTABL1BCRPDGFRB
SCHEMBL7232820 0.78 ALDH1A1 (0.39) EPHX2MAPTCYP11B1CYP11B2
SCHEMBL7243695 0.74 EPHX2 (0.51) EPHX2LMNA
SCHEMBL7631313 0.74 MAPT (0.45) EPHX2MAPTNPC1RAB9AABL1
SCHEMBL6986838 0.74 CNR2 (0.45) MAPTNPC1RAB9ALMNASTAT3

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 19 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
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 claimed
WO-2003002555-A1 METHODS OF USING SOLUBLE EPOXIDE HYDROLASE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2003-01-09 WO claimed
JP-2002516909-A 2002-06-11 JP claimed
WO-2000023060-A2 METHOD OF TREATING IMMUNOLOGICAL DISORDERS MEDIATED BY T-LYMPHOCYTES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2000-04-27 WO claimed
WO-1999062885-A1 SUBSTITUTED 1-(4-AMINOPHENYL)PYRAZOLES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 1999-12-09 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 2/4885MAPT 4786/4885NPC1 838/4885
US-20040092567-A1 Methods of using soluble epoxide hydrolase inhibitors EPHX1, EPHX2, NCEH1 EPHX2 2/4885MAPT 4771/4885NPC1 1092/4885

“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.