SCHEMBL1006779

SCHEMBL1006779

Cc1cc2nc(Br)[nH]c2cc1C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP6 P51161 1/20 0.59
ATM Q13315 3/20 0.57
MEN1 O00255 2/20 0.57
MAPT P10636 2/20 0.57
KMT2A Q03164 2/20 0.57
KDM4E B2RXH2 1/20 0.57
CACNA1B Q00975 1/20 0.57
APBA1 Q02410 1/20 0.57
MCL1 Q07820 1/20 0.57
PSMD14 O00487 1/20 0.53
MMP2 P08253 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
AMY1A P0DUB6 7/20 0.50
METAP1 P53582 2/20 0.49
METAP2 P50579 1/20 0.45
CBFB Q13951 1/20 0.45
HRH4 Q9H3N8 1/20 0.44
HSD17B10 Q99714 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
NPC1 O15118 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
SCHEMBL23041356 0.84 FABP6 (0.43) FABP6ATMMEN1MAPTKMT2A
SCHEMBL15825576 0.77 AMY1A (0.33) FABP6ATMMEN1MAPTKMT2A
SCHEMBL30038044 0.77 FABP6 (0.63) FABP6ATMMEN1MAPTKMT2A
SCHEMBL1170803 0.77 FABP6 (0.63) FABP6ATMMEN1MAPTKMT2A
SCHEMBL1038167 0.77 FABP6 (0.63) FABP6ATMMEN1MAPTKMT2A
SCHEMBL9305169 0.75 KMT2A (0.58) MAPTKMT2AKDM4EMETAP1METAP2
SCHEMBL9305161 0.75 KMT2A (0.44) MEN1MAPTKMT2AMETAP1METAP2
SCHEMBL441602 0.74 GAA (0.53) MEN1KMT2AHRH4NPC1RAB9A
SCHEMBL30860105 0.74 GAA (0.53) MEN1KMT2AHRH4NPC1RAB9A
SCHEMBL1192746 0.74 FABP6 (0.59) FABP6ATMMEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021038419-A1 KINASE INHIBITORS AND METHODS OF SYNTHESIS AND TREATMENT INSILICO MEDICINE IP LIMITED (CN) 2021-03-04 WO disclosed
EP-2935244-B1 NOVEL BENZIMIDAZOLE DERIVATIVES AS KINASE INHIBITORS SELVITA S A (PL) 2018-06-27 EP disclosed
EP-2268620-A2 INHIBITORS OF ANTIGEN RECEPTOR-INDUCED NF- KAPPA B ACTIVATION Burnham Institute for Medical Research (US) 2011-01-05 EP disclosed
WO-2009120874-A2 INHIBITORS OF ANTIGEN RECEPTOR-INDUCED NF-кB ACTIVATION BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2009-10-01 WO disclosed
WO-2009120874-A2 INHIBITORS OF ANTIGEN RECEPTOR-INDUCED NF-кB ACTIVATION BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2009-10-01 WO disclosed
US-20090247520-A1 INHIBITORS OF ANTIGEN RECEPTOR-INDUCED NF-kappa B ACTIVATION THE BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2009-10-01 US disclosed
US-20090247520-A1 INHIBITORS OF ANTIGEN RECEPTOR-INDUCED NF-kappa B ACTIVATION THE BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2009-10-01 US disclosed
US-20090247520-A1 INHIBITORS OF ANTIGEN RECEPTOR-INDUCED NF-kappa B ACTIVATION THE BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2009-10-01 US 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-20090247520-A1 INHIBITORS OF ANTIGEN RECEPTOR-INDUCED NF-kappa B ACTIVATION NFKBIA, IKBKB, NFRKB FABP6 1659/4885ATM 2286/4885MEN1 4763/4885

“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.