SCHEMBL2886220

SCHEMBL2886220

COc1ccc(C(F)(F)F)cc1NC(=O)Nc1c(C)ccc2c1ncn2Cc1ccncc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.45
TEK Q02763 3/20 0.45
EPHB4 P54760 1/20 0.45
RAF1 P04049 7/20 0.42
P2RX7 Q99572 1/20 0.41
BRAF P15056 1/20 0.41
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NR3C1 P04150 1/20 0.39
KDM4E B2RXH2 2/20 0.39
KMT2A Q03164 2/20 0.39
HTT P42858 1/20 0.39
LMNA P02545 3/20 0.39
MAPT P10636 2/20 0.39
TP53 P04637 1/20 0.39
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MTTP P55157 1/20 0.38

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
SCHEMBL2887786 0.87 KDR (0.43) KDRTEKEPHB4P2RX7KDM4E
SCHEMBL2889266 0.87 KDR (0.51) KDRTEKEPHB4RAF1BRAF
SCHEMBL5592491 0.86 KDR (0.47) KDRTEKEPHB4RAF1P2RX7
SCHEMBL2882897 0.79 KDR (0.51) KDREPHB4BRAF
SCHEMBL5327733 0.79 RAF1 (0.44) KDRTEKEPHB4RAF1BRAF
SCHEMBL5959841 0.79 KDR (0.48) KDRTEKEPHB4RAF1P2RX7
SCHEMBL5959783 0.78 KDR (0.51) KDRTEKEPHB4RAF1P2RX7
SCHEMBL5959880 0.78 RAF1 (0.41) KDRTEKEPHB4RAF1P2RX7
SCHEMBL2888120 0.77 BRAF (0.53) KDREPHB4BRAF
SCHEMBL5592439 0.77 KCNQ3 (0.57) KDRTEKEPHB4RAF1BRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8222421-B2 Certain substituted ureas, as modulators of kinase activity GILEAD CONNECTICUT, INC. (US) 2012-07-17 US claimed
US-20100286190-A1 CERTAIN SUBSTITUTED UREAS, AS MODULATORS OF KINASE ACTIVITY CGI PHARMACEUTICALS, INC. 2010-11-11 US claimed
WO-2007024294-A2 CERTAIN SUBSTITUTED UREAS, AS MODULATORS OF KINASE ACTIVITY CGI PHARMACEUTICALS, INC. (US) 2007-03-01 WO claimed
US-20060270702-A1 Certain substituted ureas, as modulators of kinase activity GILEAD CONNECTICUT, INC. 2006-11-30 US claimed
US-8222421-B2 Certain substituted ureas, as modulators of kinase activity GILEAD CONNECTICUT, INC. (US) 2012-07-17 US disclosed
US-8222421-B2 Certain substituted ureas, as modulators of kinase activity GILEAD CONNECTICUT, INC. (US) 2012-07-17 US disclosed
US-8222421-B2 Certain substituted ureas, as modulators of kinase activity GILEAD CONNECTICUT, INC. (US) 2012-07-17 US disclosed
US-20100286190-A1 CERTAIN SUBSTITUTED UREAS, AS MODULATORS OF KINASE ACTIVITY CGI PHARMACEUTICALS, INC. 2010-11-11 US disclosed
US-20100286190-A1 CERTAIN SUBSTITUTED UREAS, AS MODULATORS OF KINASE ACTIVITY CGI PHARMACEUTICALS, INC. 2010-11-11 US disclosed
US-20100286190-A1 CERTAIN SUBSTITUTED UREAS, AS MODULATORS OF KINASE ACTIVITY CGI PHARMACEUTICALS, INC. 2010-11-11 US disclosed
US-7777040-B2 Certain substituted ureas, as modulators of kinase activity CGI PHARMACEUTICALS, INC. (US) 2010-08-17 US disclosed
US-7777040-B2 Certain substituted ureas, as modulators of kinase activity CGI PHARMACEUTICALS, INC. (US) 2010-08-17 US disclosed
US-7777040-B2 Certain substituted ureas, as modulators of kinase activity CGI PHARMACEUTICALS, INC. (US) 2010-08-17 US disclosed
US-20070202133-A1 BENZIMIDAZOLE COMPOUNDS FOR MODULATING IgE AND INHIBITING CELLULAR PROLIFERATION SIRCAR JAGADISH C 2007-08-30 US disclosed
EP-1368028-B1 BENZIMIDAZOLE COMPOUNDS FOR MODULATING IGE AND INHIBITING CELLULAR PROLIFERATION AVANIR PHARMACEUTICALS (US) 2007-08-15 EP disclosed
WO-2007024294-A2 CERTAIN SUBSTITUTED UREAS, AS MODULATORS OF KINASE ACTIVITY CGI PHARMACEUTICALS, INC. (US) 2007-03-01 WO disclosed
WO-2007024294-A2 CERTAIN SUBSTITUTED UREAS, AS MODULATORS OF KINASE ACTIVITY CGI PHARMACEUTICALS, INC. (US) 2007-03-01 WO disclosed
US-20060270702-A1 Certain substituted ureas, as modulators of kinase activity GILEAD CONNECTICUT, INC. 2006-11-30 US disclosed
EP-1368028-A1 BENZIMIDAZOLE COMPOUNDS FOR MODULATING IGE AND INHIBITING CELLULAR PROLIFERATION AVANIR PHARMACEUTICALS (US) 2003-12-10 EP disclosed
WO-2002072090-A1 BENZIMIDAZOLE COMPOUNDS FOR MODULATING IGE AND INHIBITING CELLULAR PROLIFERATION AVANIR PHARMACEUTICALS (US) 2002-09-19 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 (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-20070202133-A1 BENZIMIDAZOLE COMPOUNDS FOR MODULATING IgE AND INHIBITING CELLULAR PROLIFERATION MKI67, CMA1, CCNI KDR 1406/4885TEK 2020/4885EPHB4 1529/4885
US-20060270702-A1 Certain substituted ureas, as modulators of kinase activity UCK2, CHUK, TK1 KDR 47/4885TEK 281/4885EPHB4 2792/4885
US-20100286190-A1 CERTAIN SUBSTITUTED UREAS, AS MODULATORS OF KINASE ACTIVITY UCK2, CHUK, TK1 KDR 47/4885TEK 281/4885EPHB4 2792/4885

“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.