SCHEMBL1379760

SCHEMBL1379760

COCCNC(=O)c1ccc2c(c1)ncn2-c1ccc(OCc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.64
CYP1A2 P05177 1/20 0.64
CYP2C9 P11712 1/20 0.64
MAPK1 P28482 1/20 0.64
CYP2C19 P33261 1/20 0.64
MEN1 O00255 4/20 0.60
KMT2A Q03164 4/20 0.60
NPC1 O15118 1/20 0.56
TP53 P04637 6/20 0.54
MAPT P10636 3/20 0.54
LMNA P02545 3/20 0.53
TDP1 Q9NUW8 1/20 0.51
ALDH1A1 P00352 1/20 0.50
RIPK1 Q13546 1/20 0.49
RIPK3 Q9Y572 1/20 0.49
POLB P06746 1/20 0.49
GSK3B P49841 1/20 0.48
MAOB P27338 1/20 0.47

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
SCHEMBL1379411 0.92 HPGD (0.63) HPGDCYP1A2CYP2C9MAPK1CYP2C19
SCHEMBL1380412 0.91 MEN1 (0.55) HPGDCYP1A2CYP2C9MAPK1CYP2C19
SCHEMBL1378146 0.89 HPGD (0.63) HPGDCYP1A2CYP2C9MAPK1CYP2C19
SCHEMBL1380812 0.88 RIPK1 (0.63) HPGDCYP1A2CYP2C9MAPK1CYP2C19
SCHEMBL1380123 0.87 KMT2A (0.63) HPGDCYP1A2CYP2C9MAPK1CYP2C19
SCHEMBL1383460 0.86 HPGD (0.53) HPGDCYP1A2CYP2C9MAPK1CYP2C19
SCHEMBL1378802 0.86 HPGD (0.54) HPGDCYP1A2CYP2C9MAPK1CYP2C19
SCHEMBL1381948 0.85 HPGD (0.60) HPGDCYP1A2CYP2C9MAPK1CYP2C19
SCHEMBL1381407 0.84 CD274 (0.55) HPGDMAPK1MEN1KMT2ANPC1
SCHEMBL4492204 0.84 FGFR1 (0.57) HPGDRIPK1RIPK3GSK3BMAOB

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 1154/4885CYP1A2 3026/4885CYP2C9 1118/4885

“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.