SCHEMBL1381001

SCHEMBL1381001

O=C(NCCc1ncc[nH]1)c1ccc2c(c1)ncn2-c1ccc(OCc2ccc(OC(F)(F)F)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.49
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
MAPT P10636 3/20 0.49
NPC1 O15118 1/20 0.49
LMNA P02545 1/20 0.48
NAMPT P43490 7/20 0.46
TDP1 Q9NUW8 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.46
MAPK1 P28482 1/20 0.46
CYP2C19 P33261 1/20 0.46
RIPK1 Q13546 1/20 0.43
RIPK3 Q9Y572 1/20 0.43
TRPV1 Q8NER1 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
SCHEMBL1382311 0.87 MEN1 (0.55) TP53MEN1KMT2AMAPTNPC1
SCHEMBL1382513 0.85 MEN1 (0.54) TP53MEN1KMT2AMAPTNPC1
SCHEMBL1378432 0.85 KMT2A (0.58) TP53MEN1KMT2AMAPTNPC1
SCHEMBL1379411 0.85 HPGD (0.63) TP53MEN1KMT2AMAPTNPC1
SCHEMBL1379162 0.84 KMT2A (0.57) TP53MEN1KMT2AMAPTNPC1
SCHEMBL1380123 0.84 KMT2A (0.63) TP53MEN1KMT2AMAPTNPC1
SCHEMBL1380711 0.83 MEN1 (0.51) TP53MEN1KMT2AMAPTNPC1
SCHEMBL1380313 0.82 MAPT (0.50) TP53MEN1KMT2AMAPTNPC1
SCHEMBL1379134 0.81 EPHX2 (0.55) TP53MEN1KMT2AMAPTNPC1
SCHEMBL4501197 0.81 FGFR1 (0.60) TP53MEN1KMT2AMAPTNPC1

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 TP53 119/4885MEN1 979/4885KMT2A 518/4885

“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.