SCHEMBL1377872

SCHEMBL1377872

O=C(NCc1cccnc1)c1ccc2c(c1)ncn2-c1cccc(NS(=O)(=O)c2ccc(F)cc2F)c1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.55
TP53 P04637 3/20 0.50
KCNJ1 P48048 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 3/20 0.46
NAMPT P43490 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAPK1 P28482 2/20 0.46
PKM P14618 1/20 0.46
TDP1 Q9NUW8 2/20 0.44
CXCR4 P61073 1/20 0.43
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
HPGD P15428 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 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
SCHEMBL4499599 0.84 NAMPT (0.53) TP53NAMPTTDP1
SCHEMBL1381498 0.84 KCNJ1 (0.55) KDM4ETP53KCNJ1MEN1KMT2A
SCHEMBL1379608 0.84 TDP1 (0.45) KDM4ETP53KCNJ1MEN1KMT2A
SCHEMBL4490447 0.84 NAMPT (0.53) TP53KCNJ1MEN1KMT2AALDH1A1
SCHEMBL1377890 0.83 NAMPT (0.53) TP53KCNJ1MEN1KMT2ANAMPT
SCHEMBL1377354 0.82 TP53 (0.51) KDM4ETP53MEN1KMT2AALDH1A1
SCHEMBL1379247 0.82 NAMPT (0.51) NAMPTPKMTDP1
SCHEMBL4505227 0.80 ALDH1A1 (0.58) TP53MEN1KMT2AALDH1A1NAMPT
SCHEMBL1377415 0.80 KMT2A (0.56) KDM4ETP53MEN1KMT2AALDH1A1
SCHEMBL4498670 0.79 TP53 (0.53) TP53MEN1KMT2AALDH1A1NAMPT

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 KDM4E 894/4885TP53 119/4885KCNJ1 951/4885

“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.