SCHEMBL1379031

SCHEMBL1379031

CN1CCN(CCCNC(=O)c2ccc3c(c2)ncn3-c2cccc(OCc3ccc(OC(F)(F)F)cc3)c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.50
KMT2A Q03164 6/20 0.49
MEN1 O00255 5/20 0.49
NPC1 O15118 2/20 0.48
DRD3 P35462 2/20 0.45
MAPK1 P28482 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
RAD52 P43351 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
TP53 P04637 2/20 0.43
MAPT P10636 1/20 0.43
LMNA P02545 1/20 0.42
USP2 O75604 1/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL1377468 0.93 MEN1 (0.54) HPGDKMT2AMEN1NPC1MAPK1
SCHEMBL1381954 0.92 KMT2A (0.58) HPGDKMT2AMEN1NPC1DRD3
SCHEMBL1379307 0.89 HPGD (0.47) HPGDKMT2AMEN1NPC1MAPK1
SCHEMBL1379654 0.88 KMT2A (0.57) HPGDKMT2AMEN1NPC1MAPK1
SCHEMBL1381832 0.88 EPHX2 (0.53) HPGDKMT2AMEN1MAPK1CYP1A2
SCHEMBL1378088 0.87 HPGD (0.53) HPGDKMT2AMEN1NPC1MAPK1
SCHEMBL1381948 0.86 HPGD (0.60) HPGDKMT2AMEN1NPC1MAPK1
SCHEMBL1377978 0.85 MAPK1 (0.52) HPGDKMT2AMEN1NPC1MAPK1
SCHEMBL1379770 0.85 MEN1 (0.60) HPGDKMT2AMEN1NPC1MAPK1
SCHEMBL1381540 0.85 ALOX5 (0.51) 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 HPGD 1154/4885KMT2A 518/4885MEN1 979/4885

“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.