SCHEMBL4494474

SCHEMBL4494474

COc1ccc(-c2cc(N)n(C(C)(C)C)n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
KDM4E B2RXH2 4/20 0.52
NPC1 O15118 4/20 0.52
RAB9A P51151 4/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
HPGD P15428 3/20 0.52
PKM P14618 1/20 0.52
CDK5 Q00535 1/20 0.52
CDK5R1 Q15078 1/20 0.52
MAPT P10636 5/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
DYRK1A Q13627 1/20 0.46
TNF P01375 1/20 0.45
SRC P12931 3/20 0.44
GAA P10253 2/20 0.44
STAT1 P42224 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GLA P06280 1/20 0.44
KPNA2 P52292 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
SCHEMBL4482332 0.84 MAPT (0.41) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL13757487 0.83 MEN1 (0.51) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL3661525 0.82 SMN1; SMN2 (0.58) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL8471736 0.81 MEN1 (0.47) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL15729859 0.80 NPC1 (0.57) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL4714412 0.80 SMN1; SMN2 (0.54) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL4474644 0.78 NPY5R (0.44) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL28614010 0.77 MAPT (0.51) ALDH1A1KDM4ESMN1; SMN2HPGDMAPT
SCHEMBL8471730 0.77 MAPT (0.41) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL1862123 0.74 HTT (0.53) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2

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 ALDH1A1 655/4885KDM4E 742/4885NPC1 2213/4885
US-20060035951-A1 N-substituted pyrazolyl-amidyl-benzimidazolyl c-Kit inhibitors KIT, TNNI3K, CHUK ALDH1A1 655/4885KDM4E 742/4885NPC1 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.