SCHEMBL1380975

SCHEMBL1380975

COCCNC(=O)c1ccc2c(c1)ncn2-c1ccc(OCCOc2ccc(F)cc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.74
MAPK1 P28482 2/20 0.74
CYP1A2 P05177 1/20 0.74
CYP2C9 P11712 1/20 0.74
CYP2C19 P33261 1/20 0.74
MEN1 O00255 6/20 0.66
KMT2A Q03164 6/20 0.66
LMNA P02545 3/20 0.58
NPC1 O15118 1/20 0.57
TP53 P04637 4/20 0.56
MAPT P10636 3/20 0.56
ALDH1A1 P00352 1/20 0.55
POLB P06746 1/20 0.53
GSK3B P49841 1/20 0.53
TDP1 Q9NUW8 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL1378843 0.97 HPGD (0.72) HPGDMAPK1CYP1A2CYP2C9CYP2C19
SCHEMBL1377140 0.94 KMT2A (0.67) HPGDMAPK1CYP1A2CYP2C9CYP2C19
SCHEMBL1377663 0.93 HPGD (0.69) HPGDMAPK1CYP1A2CYP2C9CYP2C19
SCHEMBL4505163 0.92 KMT2A (0.67) HPGDMAPK1CYP1A2CYP2C9CYP2C19
SCHEMBL1381949 0.90 KMT2A (0.61) HPGDMAPK1CYP1A2CYP2C9CYP2C19
SCHEMBL1381992 0.90 HPGD (0.59) HPGDMAPK1CYP1A2CYP2C9CYP2C19
SCHEMBL1379980 0.88 KMT2A (0.61) HPGDMAPK1CYP1A2CYP2C9CYP2C19
SCHEMBL1381505 0.88 KMT2A (0.61) HPGDMAPK1CYP1A2CYP2C9CYP2C19
SCHEMBL1378082 0.87 KMT2A (0.60) HPGDMAPK1CYP1A2CYP2C9CYP2C19
SCHEMBL1380737 0.86 HPGD (0.62) HPGDMAPK1CYP1A2CYP2C9CYP2C19

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 HPGD 1154/4885MAPK1 340/4885CYP1A2 3026/4885

“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.