SCHEMBL4474644

SCHEMBL4474644

CC(C)(C)n1nc(-c2ccc(C(F)(F)F)cc2)cc1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 2/20 0.44
MAPT P10636 7/20 0.43
NPC1 O15118 6/20 0.43
RAB9A P51151 6/20 0.43
SMN1; SMN2 Q16637 6/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KIF11 P52732 2/20 0.42
RAD51 Q06609 1/20 0.40
TLR8 Q9NR97 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
TP53 P04637 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
LMNA P02545 3/20 0.38
LTA4H P09960 1/20 0.38

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
SCHEMBL8684114 0.85 NPY5R (0.41) NPY5RMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL13757481 0.83 PTGS2 (0.46) MAPTNPC1RAB9ASMN1; SMN2KIF11
SCHEMBL4681659 0.82 NPY5R (0.46) NPY5RMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL3661525 0.82 SMN1; SMN2 (0.58) NPY5RMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL4714412 0.80 SMN1; SMN2 (0.54) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL4494474 0.78 ALDH1A1 (0.52) NPY5RMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL29971943 0.75 SMN1; SMN2 (0.36) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL4482332 0.75 MAPT (0.41) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL28872528 0.75 SMN1; SMN2 (0.36) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL4475058 0.74 MEN1 (0.46) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7485658-B2 N-substituted pyrazolyl-amidyl-benzimidazolyl c-Kit inhibitors OSI PHARMACEUTICALS, INC. (US) 2009-02-03 US disclosed
EP-1664032-B1 N-SUBSTITUTED PYRAZOLYL-AMIDYL-BENZIMIDAZOLYL C-KIT INHIBITORS OSI PHARM INC (US) 2008-11-05 EP disclosed
US-20080221187-A9 N-substituted pyrazolyl-amidyl-benzimidazolyl c-Kit inhibitors OSI PHARMACEUTICALS, INC. 2008-09-11 US disclosed
EP-1664032-A1 N-SUBSTITUTED PYRAZOLYL-AMIDYL-BENZIMIDAZOLYL C-KIT INHIBITORS OSI Pharmaceuticals, Inc. (US) 2006-06-07 EP disclosed
US-20060035951-A1 N-substituted pyrazolyl-amidyl-benzimidazolyl c-Kit inhibitors BOLGER JOSHUA 2006-02-16 US disclosed
WO-2005021537-A1 N-SUBSTITUTED PYRAZOLYL-AMIDYL-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 (2 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-20080221187-A9 N-substituted pyrazolyl-amidyl-benzimidazolyl c-Kit inhibitors KIT, TNNI3K, CHUK NPY5R 3466/4885MAPT 4501/4885NPC1 2213/4885
US-20060035951-A1 N-substituted pyrazolyl-amidyl-benzimidazolyl c-Kit inhibitors KIT, TNNI3K, CHUK NPY5R 3466/4885MAPT 4501/4885NPC1 2213/4885

“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.