SCHEMBL1377415

SCHEMBL1377415

O=C(NCc1cccnc1)c1ccc2c(c1)ncn2-c1cccc(NCc2ccncc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.56
TDP1 Q9NUW8 2/20 0.56
MEN1 O00255 2/20 0.56
HPGD P15428 2/20 0.56
ALDH1A1 P00352 2/20 0.56
MAPT P10636 2/20 0.56
MAPK1 P28482 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
KDM4E B2RXH2 1/20 0.56
HTT P42858 1/20 0.56
RAB9A P51151 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
TP53 P04637 4/20 0.50
ROCK2 O75116 5/20 0.49
GRK2 P25098 5/20 0.49
NAMPT P43490 2/20 0.47
PRKCA P17252 2/20 0.45
LMNA P02545 1/20 0.45
GRK3 P35626 1/20 0.44
GRK7 Q8WTQ7 1/20 0.44

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 0.96 TP53 (0.51) KMT2ATDP1MEN1HPGDALDH1A1
SCHEMBL4498786 0.93 NAMPT (0.53) KMT2ATDP1MEN1HPGDALDH1A1
SCHEMBL1378086 0.93 MEN1 (0.53) KMT2ATDP1MEN1HPGDALDH1A1
SCHEMBL1378302 0.89 ROCK2 (0.53) HPGDALDH1A1NPSR1TP53ROCK2
SCHEMBL1381394 0.88 TP53 (0.48) KMT2ATDP1MEN1HPGDALDH1A1
SCHEMBL4505227 0.87 ALDH1A1 (0.58) KMT2ATDP1MEN1HPGDALDH1A1
SCHEMBL4506055 0.86 LMNA (0.54) KMT2ATDP1MEN1HPGDALDH1A1
SCHEMBL4498670 0.86 TP53 (0.53) KMT2ATDP1MEN1HPGDALDH1A1
SCHEMBL1382061 0.85 NAMPT (0.55) KMT2ATDP1MEN1HPGDALDH1A1
SCHEMBL2337525 0.85 GABRA1 (0.58) KMT2ATDP1MEN1HPGDALDH1A1

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 6 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

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 KMT2A 518/4885TDP1 3696/4885MEN1 979/4885

“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.