SCHEMBL4096532

SCHEMBL4096532

Cc1cc2nc(-c3n[nH]c(C)c3C(=O)NC3CCCNC3)[nH]c2cc1C

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 5/20 0.43
MAPK1 P28482 1/20 0.41
OPRK1 P41145 1/20 0.41
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PARP1 P09874 1/20 0.39
CHEK1 O14757 1/20 0.39
PDPK1 O15530 1/20 0.39
CHRNA1 P02708 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA4 P43681 1/20 0.39
PBK Q96KB5 5/20 0.38
HPSE Q9Y251 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
SCHEMBL5952481 0.88 CHEK1 (0.48) FLT3KDM4ENPC1ALDH1A1RAB9A
SCHEMBL13849205 0.88 CHEK1 (0.51) FLT3SMN1; SMN2PARP1CHEK1PDPK1
SCHEMBL13849190 0.83 PBK (0.41) FLT3MAPK1KDM4ENPC1ALDH1A1
SCHEMBL13849221 0.82 CHEK1 (0.42) FLT3MAPK1KDM4ENPC1ALDH1A1
SCHEMBL13849200 0.80 FLT3 (0.45) FLT3CHEK1PDPK1
SCHEMBL13849198 0.80 FLT3 (0.45) FLT3CHEK1PDPK1
SCHEMBL4104292 0.79 CHEK1 (0.47) FLT3SMN1; SMN2CHEK1PDPK1
SCHEMBL13849193 0.79 FLT3 (0.52) FLT3RAB9ASMN1; SMN2CHEK1PDPK1
SCHEMBL4104351 0.79 FLT3 (0.56) FLT3RAB9ACHEK1PDPK1
SCHEMBL12105176 0.78 PDPK1 (0.48) FLT3NPC1ALDH1A1RAB9ASMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090131470-A1 PYRAZOLE-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER AND AUTOIMMUNE DISORDERS VERNALIS R & D LIMITED (GB) 2009-05-21 US disclosed
US-20090131470-A1 PYRAZOLE-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER AND AUTOIMMUNE DISORDERS VERNALIS R & D LIMITED (GB) 2009-05-21 US disclosed
US-20090131470-A1 PYRAZOLE-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER AND AUTOIMMUNE DISORDERS VERNALIS R & D LIMITED (GB) 2009-05-21 US disclosed
EP-1891048-A1 PYRAZOLE-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER AND AUTOIMMUNE DISORDERS Vernalis (R&D) Limited (GB) 2008-02-27 EP disclosed
WO-2006134318-A1 PYRAZOLE-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER AND AUTOIMMUNE DISORDERS VERNALIS R & D LIMITED (GB) 2006-12-21 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-20090131470-A1 PYRAZOLE-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER AND AUTOIMMUNE DISORDERS PDK1, CHEK1, PDK3 FLT3 344/4885MAPK1 112/4885OPRK1 1127/4885

“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.