SCHEMBL1381540

SCHEMBL1381540

CN(C)CCNC(=O)c1ccc2c(c1)ncn2-c1cccc(OCc2ccc(OC(F)(F)F)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.51
HPGD P15428 3/20 0.50
KMT2A Q03164 5/20 0.49
MEN1 O00255 4/20 0.48
NPC1 O15118 1/20 0.48
MAPK1 P28482 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
FYN P06241 1/20 0.46
TP53 P04637 4/20 0.46
IDH1 O75874 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
MAPT P10636 1/20 0.45
ATM Q13315 1/20 0.45
MAOB P27338 1/20 0.44
LMNA P02545 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
SCHEMBL1378088 0.95 HPGD (0.53) ALOX5HPGDKMT2AMEN1NPC1
SCHEMBL1382513 0.93 MEN1 (0.54) ALOX5HPGDKMT2AMEN1NPC1
SCHEMBL1381948 0.90 HPGD (0.60) HPGDKMT2AMEN1NPC1MAPK1
SCHEMBL1377978 0.89 MAPK1 (0.52) HPGDKMT2AMEN1NPC1MAPK1
SCHEMBL1379654 0.89 KMT2A (0.57) HPGDKMT2AMEN1NPC1MAPK1
SCHEMBL2975345 0.88 MAOB (0.49) ALOX5HPGDKMT2ACYP1A2CYP2C9
SCHEMBL1379162 0.88 KMT2A (0.57) HPGDKMT2AMEN1NPC1MAPK1
SCHEMBL1379340 0.88 RIPK1 (0.54) HPGDKMT2AMEN1NPC1MAPK1
SCHEMBL1379307 0.85 HPGD (0.47) HPGDKMT2AMEN1NPC1MAPK1
SCHEMBL1379031 0.85 HPGD (0.50) HPGDKMT2AMEN1NPC1MAPK1

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 ALOX5 3045/4885HPGD 1154/4885KMT2A 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.