SCHEMBL4494427

SCHEMBL4494427

CC(C)(C)n1nc(-c2cccc(Cl)c2)cc1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.44
MAPT P10636 3/20 0.44
TP53 P04637 2/20 0.44
POLB P06746 1/20 0.44
PGR P06401 1/20 0.42
MEN1 O00255 2/20 0.41
LMNA P02545 2/20 0.41
KMT2A Q03164 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TLR8 Q9NR97 1/20 0.41
HPGD P15428 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
STAT3 P40763 1/20 0.40
ALDH1A1 P00352 1/20 0.40
NFKB1 P19838 1/20 0.40

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
SCHEMBL4472873 0.83 RAB9A (0.58) SMN1; SMN2MAPTMEN1LMNAKMT2A
SCHEMBL4714412 0.82 SMN1; SMN2 (0.54) SMN1; SMN2MAPTMEN1LMNAKMT2A
SCHEMBL4475058 0.82 MEN1 (0.46) SMN1; SMN2MAPTMEN1LMNAKMT2A
SCHEMBL4765637 0.81 MAPT (0.48) SMN1; SMN2MAPTTP53POLBMEN1
SCHEMBL27143654 0.77 RIPK2 (0.40) SMN1; SMN2MAPTTP53MEN1LMNA
SCHEMBL3661525 0.74 SMN1; SMN2 (0.58) SMN1; SMN2MAPTTP53POLBMEN1
SCHEMBL28872528 0.74 SMN1; SMN2 (0.36) SMN1; SMN2MAPTTP53MEN1LMNA
SCHEMBL29971943 0.74 SMN1; SMN2 (0.36) SMN1; SMN2MAPTTP53MEN1LMNA
SCHEMBL26251788 0.72 NPC1 (0.43) MAPTGAANPC1RAB9APTGS2
SCHEMBL27647109 0.71 TLR8 (0.55) SMN1; SMN2MAPTTP53POLBMEN1

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 SMN1; SMN2 2965/4885MAPT 4501/4885TP53 59/4885
US-20060035951-A1 N-substituted pyrazolyl-amidyl-benzimidazolyl c-Kit inhibitors KIT, TNNI3K, CHUK SMN1; SMN2 2965/4885MAPT 4501/4885TP53 59/4885

“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.