SCHEMBL3588802

SCHEMBL3588802

O=C(Nc1ccc(Oc2ccncc2)cc1)c1nc2cc(Cl)ccc2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.53
KDM4E B2RXH2 2/20 0.49
LMNA P02545 2/20 0.49
HPGD P15428 2/20 0.49
USP2 O75604 1/20 0.49
ALOX15 P16050 1/20 0.49
HTT P42858 1/20 0.49
RAF1 P04049 2/20 0.44
MAPK1 P28482 1/20 0.44
JAK2 O60674 2/20 0.43
JAK1 P23458 2/20 0.43
TYK2 P29597 2/20 0.43
KCNMA1 Q12791 2/20 0.43
S1PR2 O95136 1/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
NT5E P21589 1/20 0.41
PNLIP P16233 1/20 0.41
NHERF1 O14745 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
SCHEMBL3603688 0.89 KDR (0.49) KDRRAF1KMT2AMEN1NHERF1
SCHEMBL3593695 0.89 ALDH1A1 (0.55) KDRKDM4ELMNAHPGDUSP2
SCHEMBL3601549 0.84 KDR (0.54) KDRLMNARAF1MAPK1JAK2
SCHEMBL13408241 0.84 FAAH (0.55) KDM4ELMNAHTTKMT2AMEN1
SCHEMBL16198289 0.82 MAPT (0.57) LMNAKMT2AMEN1MAPTALDH1A1
SCHEMBL3605396 0.81 KDR (0.54) KDRRAF1MAPK1KMT2AMEN1
SCHEMBL30912925 0.81 SMN1; SMN2 (0.50) KDM4ELMNAUSP2HTTKMT2A
SCHEMBL3596314 0.79 GRM5 (0.58) KMT2AMEN1
SCHEMBL6017008 0.78 TMPRSS4 (0.54) KDM4ELMNAHTTKMT2AMEN1
SCHEMBL4161669 0.78 KDR (0.56) KDRRAF1TEK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1643991-B1 BENZIMIDAZOLE CARBOXAMIDES AS RAF KINASE INHIBITORS MERCK PATENT GMBH (DE) 2014-03-12 EP disclosed
US-7691870-B2 Benzimidazole carboxamides as raf kinase inhibitors MERCK PATENT GMBH (DE) 2010-04-06 US disclosed
US-20070093532-A1 Benzimidazole carboxamides as raf kinase inhibitors MERCK PATENT GMBH (DE) 2007-04-26 US disclosed
EP-1643991-A1 BENZIMIDAZOLE CARBOXAMIDES AS RAF KINASE INHIBITORS MERCK PATENT GmbH (DE) 2006-04-12 EP disclosed
WO-2005004863-A1 BENZIMIDAZOLE CARBOXAMIDES AS RAF KINASE INHIBITORS MERCK PATENT GMBH (DE) 2005-01-20 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-20070093532-A1 Benzimidazole carboxamides as raf kinase inhibitors BRAF, RAF1, ARAF KDR 843/4885KDM4E 1016/4885LMNA 2964/4885

“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.