SCHEMBL4496095

SCHEMBL4496095

O=C(NCc1cccnc1)c1ccc2c(c1)ncn2-c1ccc(Br)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.60
KMT2A Q03164 4/20 0.60
TP53 P04637 3/20 0.58
TDP1 Q9NUW8 1/20 0.58
POLB P06746 1/20 0.56
CNR1 P21554 1/20 0.50
CNR2 P34972 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
ALDH1A1 P00352 2/20 0.49
USP2 O75604 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
IDO1 P14902 1/20 0.48
PIK3CA P42336 1/20 0.48
NPC1 O15118 1/20 0.48
LMNA P02545 3/20 0.48
MAPK1 P28482 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
TSHR P16473 1/20 0.48
BLM P54132 1/20 0.48

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
SCHEMBL1380742 0.94 TSHR (0.55) MEN1KMT2ATP53TDP1POLB
SCHEMBL4504516 0.93 TSHR (0.54) MEN1KMT2ATP53TDP1POLB
SCHEMBL4499742 0.91 TP53 (0.59) MEN1KMT2ATP53TDP1POLB
SCHEMBL2338339 0.90 POLB (0.57) MEN1KMT2ATP53TDP1POLB
SCHEMBL1378086 0.88 MEN1 (0.53) MEN1KMT2ATP53TDP1POLB
SCHEMBL1377983 0.88 TSHR (0.52) MEN1KMT2ATP53TDP1POLB
SCHEMBL27030613 0.88 TP53 (0.55) MEN1KMT2ATP53TDP1POLB
SCHEMBL1382395 0.88 HTT (0.58) MEN1KMT2ATP53TDP1POLB
SCHEMBL4498670 0.87 TP53 (0.53) MEN1KMT2ATP53TDP1L3MBTL1
SCHEMBL4512840 0.87 TSHR (0.52) MEN1KMT2ATP53TDP1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7521448-B2 N-substituted benzimidazolyl c-Kit inhibitors OSI PHARMACEUTICALS, INC. (US) 2009-04-21 US disclosed
US-20060189629-A1 N-substituted benzimidazolyl c-Kit inhibitors OSI PHARMACEUTICALS, INC. 2006-08-24 US disclosed
EP-1664021-A1 N-SUBSTITUTED BENZIMIDAZOLYL C-KIT INHIBITORS OSI Pharmaceuticals, Inc. (US) 2006-06-07 EP disclosed
WO-2005021531-A1 N-SUBSTITUTED BENZIMIDAZOLYL C-KIT INHIBITORS OSI PHARMACEUTICALS, INC. (US) 2005-03-10 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-20060189629-A1 N-substituted benzimidazolyl c-Kit inhibitors KIT, CHUK, TNNI3K MEN1 979/4885KMT2A 518/4885TP53 119/4885

“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.