SCHEMBL4472873

SCHEMBL4472873

Cc1cccc(-c2cc(N)n(C(C)(C)C)n2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.58
NPC1 O15118 7/20 0.58
ALDH1A1 P00352 6/20 0.58
SMN1; SMN2 Q16637 5/20 0.58
NFKB1 P19838 2/20 0.58
NFKB2 Q00653 2/20 0.58
RELA Q04206 2/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
RIPK2 O43353 1/20 0.51
SRC P12931 2/20 0.50
ABL1 P00519 1/20 0.50
KDM4E B2RXH2 2/20 0.46
HPGD P15428 3/20 0.45
XDH P47989 1/20 0.42
LMNA P02545 1/20 0.41
IDO1 P14902 1/20 0.41
METAP2 P50579 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
GAA P10253 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
SCHEMBL27009178 0.84 NPC1 (0.51) RAB9ANPC1ALDH1A1SMN1; SMN2NFKB1
SCHEMBL4714412 0.83 SMN1; SMN2 (0.54) RAB9ANPC1ALDH1A1SMN1; SMN2NFKB1
SCHEMBL4475058 0.83 MEN1 (0.46) RAB9ANPC1ALDH1A1SMN1; SMN2NFKB1
SCHEMBL4494427 0.83 SMN1; SMN2 (0.44) RAB9ANPC1ALDH1A1SMN1; SMN2NFKB1
SCHEMBL3661525 0.82 SMN1; SMN2 (0.58) RAB9ANPC1ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL23402126 0.81 RIPK2 (0.48) RAB9ANPC1ALDH1A1SMN1; SMN2NFKB1
SCHEMBL13974490 0.80 RAB9A (0.65) RAB9ANPC1ALDH1A1SMN1; SMN2NFKB1
SCHEMBL29767107 0.80 RAB9A (0.65) RAB9ANPC1ALDH1A1SMN1; SMN2NFKB1
SCHEMBL27009185 0.77 RIPK2 (0.44) RAB9ANPC1ALDH1A1SMN1; SMN2NFKB1
SCHEMBL27009180 0.76 NPC1 (0.41) RAB9ANPC1ALDH1A1SMN1; SMN2NFKB1

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 RAB9A 977/4885NPC1 2213/4885ALDH1A1 655/4885
US-20060035951-A1 N-substituted pyrazolyl-amidyl-benzimidazolyl c-Kit inhibitors KIT, TNNI3K, CHUK RAB9A 977/4885NPC1 2213/4885ALDH1A1 655/4885

“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.