SCHEMBL1377978

SCHEMBL1377978

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

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
HPGD P15428 7/20 0.51
KMT2A Q03164 5/20 0.50
TP53 P04637 4/20 0.50
TDP1 Q9NUW8 1/20 0.50
MEN1 O00255 4/20 0.49
NPC1 O15118 1/20 0.49
CYP2C9 P11712 4/20 0.47
CYP2C19 P33261 4/20 0.47
CYP1A2 P05177 3/20 0.47
ALDH1A1 P00352 4/20 0.47
CYP2D6 P10635 2/20 0.47
FGFR1 P11362 1/20 0.46
KDM4E B2RXH2 3/20 0.46
GAA P10253 1/20 0.46
RIPK1 Q13546 1/20 0.45
RIPK3 Q9Y572 1/20 0.45
CYP3A4 P08684 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
SCHEMBL1379340 0.91 RIPK1 (0.54) MAPK1SMN1; SMN2HPGDKMT2ATP53
SCHEMBL1381948 0.91 HPGD (0.60) MAPK1SMN1; SMN2HPGDKMT2ATP53
SCHEMBL1381540 0.89 ALOX5 (0.51) MAPK1SMN1; SMN2HPGDKMT2ATP53
SCHEMBL1379654 0.89 KMT2A (0.57) MAPK1SMN1; SMN2HPGDKMT2ATP53
SCHEMBL1378088 0.88 HPGD (0.53) MAPK1SMN1; SMN2HPGDKMT2ATP53
SCHEMBL2975969 0.87 GPR132 (0.43) SMN1; SMN2HPGDCYP2C9CYP2C19CYP1A2
SCHEMBL1379465 0.86 LMNA (0.53) MAPK1SMN1; SMN2HPGDKMT2ATP53
SCHEMBL1379307 0.86 HPGD (0.47) MAPK1SMN1; SMN2HPGDKMT2ATP53
SCHEMBL1379031 0.85 HPGD (0.50) MAPK1SMN1; SMN2HPGDKMT2ATP53
SCHEMBL1381832 0.84 EPHX2 (0.53) MAPK1HPGDKMT2AMEN1CYP2C9

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 MAPK1 340/4885SMN1; SMN2 2900/4885HPGD 1154/4885

“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.