SCHEMBL861501

SCHEMBL861501

Oc1ccc(-n2cccn2)nc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.61
KMT2A Q03164 3/20 0.55
KDM4E B2RXH2 7/20 0.49
ALDH1A1 P00352 3/20 0.48
RXFP1 Q9HBX9 1/20 0.48
TNIK Q9UKE5 1/20 0.47
MEN1 O00255 2/20 0.45
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
G6PD P11413 1/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP2D6 P10635 1/20 0.44
CHRNA7 P36544 1/20 0.44
CXCR4 P61073 2/20 0.43
HPGD P15428 2/20 0.42
GRN P28799 1/20 0.41
SORT1 Q99523 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NAMPT P43490 1/20 0.39

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
SCHEMBL4191891 0.78 LMNA (0.57) LMNAKMT2AKDM4EALDH1A1RXFP1
SCHEMBL31516755 0.78 KDM4E (0.58) LMNAKMT2AKDM4EALDH1A1RXFP1
SCHEMBL3462062 0.78 LMNA (0.57) LMNAKMT2AKDM4EALDH1A1RXFP1
SCHEMBL2728318 0.78 LMNA (0.57) LMNAKMT2AKDM4EALDH1A1RXFP1
SCHEMBL29696397 0.78 LMNA (0.57) LMNAKMT2AKDM4EALDH1A1RXFP1
SCHEMBL3155897 0.78 LMNA (0.57) LMNAKMT2AKDM4EALDH1A1RXFP1
SCHEMBL46317 0.78 KDM4E (0.58) LMNAKMT2AKDM4EALDH1A1RXFP1
SCHEMBL2067481 0.78 LMNA (0.57) LMNAKMT2AKDM4EALDH1A1RXFP1
SCHEMBL22925970 0.78 LMNA (0.57) LMNAKMT2AKDM4EALDH1A1RXFP1
SCHEMBL1599534 0.77 LMNA (0.56) LMNAKMT2AKDM4EALDH1A1RXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102459202-B As the inhibitor isoxazoline of fatty acid amide hydrolase INFINITY PHARMACEUTICALS, INC. (US) 2015-11-25 CN disclosed
US-9149465-B2 Isoxazolines as inhibitors of fatty acid amide hydrolase INFINITY PHARMACEUTICALS, INC. (US) 2015-10-06 US disclosed
EP-1702919-B1 NOVEL 2-HETEROARYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVE MSD KK (JP) 2012-05-30 EP disclosed
CN-102459202-A Isoxazolines as inhibitors of fatty acid amide hydrolase INFINITY PHARMACEUTICALS INC 2012-05-16 CN disclosed
EP-2432771-A1 ISOXAZOLINES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE Infinity Pharmaceuticals, Inc. (US) 2012-03-28 EP disclosed
US-20110028478-A1 ISOXAZOLINES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. (US) 2011-02-03 US disclosed
WO-2010135360-A1 ISOXAZOLINES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. (US) 2010-11-25 WO disclosed
US-7728025-B2 2-heteroaryl-substituted benzimidazole derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-06-01 US disclosed
US-20080070928-A1 Novel 2-Heteroaryl-Substituted Benzimidazole Derivative MSD K.K. (JP) 2008-03-20 US disclosed
CN-1926127-A Novel 2-heteroaryl substituted benzimidazole derivatives BANYU PHARMA CO LTD (JP) 2007-03-07 CN disclosed
EP-1702919-A1 NOVEL 2-HETEROARYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-09-20 EP 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-20110028478-A1 ISOXAZOLINES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, HRH2 LMNA 4042/4885KMT2A 2280/4885KDM4E 1965/4885
US-20080070928-A1 Novel 2-Heteroaryl-Substituted Benzimidazole Derivative GCK, GCKR, HK1 LMNA 3434/4885KMT2A 1946/4885KDM4E 2940/4885

“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.