SCHEMBL1378086

SCHEMBL1378086

O=C(NCc1cccnc1)c1ccc2c(c1)ncn2-c1cccc(NCc2ccc(Br)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
TP53 P04637 4/20 0.50
TDP1 Q9NUW8 2/20 0.50
POLB P06746 1/20 0.47
HPGD P15428 2/20 0.46
MAPK1 P28482 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
NAMPT P43490 3/20 0.46
IDO1 P14902 1/20 0.44
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
LMNA P02545 2/20 0.43
ROCK2 O75116 1/20 0.43

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
SCHEMBL1377354 0.94 TP53 (0.51) MEN1KMT2ATP53TDP1HPGD
SCHEMBL1377415 0.93 KMT2A (0.56) MEN1KMT2ATP53TDP1HPGD
SCHEMBL4498786 0.92 NAMPT (0.53) MEN1KMT2ATP53TDP1HPGD
SCHEMBL2338339 0.88 POLB (0.57) MEN1KMT2ATP53TDP1POLB
SCHEMBL4496095 0.88 MEN1 (0.60) MEN1KMT2ATP53TDP1POLB
SCHEMBL1381394 0.88 TP53 (0.48) MEN1KMT2ATP53TDP1HPGD
SCHEMBL1378302 0.86 ROCK2 (0.53) TP53HPGDALDH1A1NPSR1NAMPT
SCHEMBL1377983 0.85 TSHR (0.52) MEN1KMT2ATP53TDP1POLB
SCHEMBL4498670 0.85 TP53 (0.53) MEN1KMT2ATP53TDP1HPGD
SCHEMBL4505227 0.85 ALDH1A1 (0.58) MEN1KMT2ATP53TDP1HPGD

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
JP-4769720-B2 2011-09-07 JP claimed
US-20060189629-A1 N-substituted benzimidazolyl c-Kit inhibitors OSI PHARMACEUTICALS, INC. 2006-08-24 US claimed
EP-1664021-A1 N-SUBSTITUTED BENZIMIDAZOLYL C-KIT INHIBITORS OSI Pharmaceuticals, Inc. (US) 2006-06-07 EP claimed
WO-2005021531-A1 N-SUBSTITUTED BENZIMIDAZOLYL C-KIT INHIBITORS OSI PHARMACEUTICALS, INC. (US) 2005-03-10 WO claimed
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.