SCHEMBL9995321

SCHEMBL9995321

CC(=O)Nc1ccc(Cl)cc1-c1ccc(-n2c(N)nc3ccc(F)cc32)cn1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.37
MOK Q9UQ07 1/20 0.37
GSR P00390 1/20 0.37
PIK3CA P42336 2/20 0.36
MTOR P42345 1/20 0.36
MAPT P10636 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
GRM2 Q14416 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HSD17B10 Q99714 1/20 0.35
JAK2 O60674 1/20 0.35
TYK2 P29597 1/20 0.35
HDAC3 O15379 1/20 0.35
DHODH Q02127 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL9995305 0.88 POLB (0.42) PIK3CAMTORMAPTADORA2AKDM4E
SCHEMBL9995050 0.87 GSR (0.41) THRBMOKGSRPIK3CAMAPT
SCHEMBL9995275 0.77 KDM4E (0.39) THRBMOKPIK3CAMTORKDM4E
SCHEMBL12066693 0.75 ALDH1A1 (0.38) MAPTKDM4EDHODHTP53
SCHEMBL9995001 0.74 POLB (0.44) PIK3CAMTORADORA2AKDM4EHSD17B10
SCHEMBL9995253 0.72 GSR (0.40) GSRPIK3CAMTOR
SCHEMBL12067266 0.70 TRPV1 (0.34) GRM2
SCHEMBL12067260 0.70 TGFBR1 (0.32) MOKGRM2KDM4E
SCHEMBL9995319 0.70 MOK (0.33) MOKPIK3CAGRM2KDM4EJAK2
SCHEMBL12067261 0.70 TGFBR1 (0.32) GRM2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2582680-A1 BIPHENYL SUBSTITUTED 1,3-DIHYDRO-BENZOIMIDAZOL-2-YLIDENEAMINE DERIVATIVES Novartis AG (CH) 2013-04-24 EP disclosed
US-20130090342-A1 BIPHENYL SUBSTITUTED 1,3-DIHYDRO-BENZOIMIDAZOL-2-YLIDENEAMINE DERIVATIVES NOVARTIS AG (CH) 2013-04-11 US disclosed
US-20130090342-A1 BIPHENYL SUBSTITUTED 1,3-DIHYDRO-BENZOIMIDAZOL-2-YLIDENEAMINE DERIVATIVES NOVARTIS AG (CH) 2013-04-11 US disclosed
US-20130090342-A1 BIPHENYL SUBSTITUTED 1,3-DIHYDRO-BENZOIMIDAZOL-2-YLIDENEAMINE DERIVATIVES NOVARTIS AG (CH) 2013-04-11 US disclosed
WO-2011157787-A1 BIPHENYL SUBSTITUTED 1,3-DIHYDRO-BENZOIMIDAZOL-2-YLIDENEAMINE DERIVATIVES NOVARTIS AG (CH) 2011-12-22 WO disclosed
WO-2011157787-A1 BIPHENYL SUBSTITUTED 1,3-DIHYDRO-BENZOIMIDAZOL-2-YLIDENEAMINE DERIVATIVES NOVARTIS AG (CH) 2011-12-22 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 (1 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-20130090342-A1 BIPHENYL SUBSTITUTED 1,3-DIHYDRO-BENZOIMIDAZOL-2-YLIDENEAMINE DERIVATIVES IGF1R, IGFBP1, IGFBP2 THRB 82/4885MOK 4610/4885GSR 2101/4885

“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.