SCHEMBL4104292

SCHEMBL4104292

Cc1[nH]nc(-c2nc3cc4ccccc4cc3[nH]2)c1C(=O)NC1CCNCC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 2/20 0.47
FLT3 P36888 4/20 0.46
DHODH Q02127 1/20 0.42
PDPK1 O15530 2/20 0.42
WNT1 P04628 2/20 0.41
DYRK1A Q13627 2/20 0.41
SMYD3 Q9H7B4 1/20 0.40
PIM1 P11309 1/20 0.40
MAPK8 P45983 1/20 0.39
MAPK10 P53779 1/20 0.39
MAPK14 Q16539 1/20 0.39
PIP5K1C O60331 1/20 0.39
PAK4 O96013 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HTR4 Q13639 1/20 0.39
HPGDS O60760 1/20 0.39
FOXO1 Q12778 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
SCHEMBL4090783 0.89 CHEK1 (0.56) CHEK1FLT3PDPK1SMYD3PIP5K1C
SCHEMBL13849200 0.87 FLT3 (0.45) CHEK1FLT3DHODHPDPK1WNT1
SCHEMBL13849198 0.87 FLT3 (0.45) CHEK1FLT3DHODHPDPK1WNT1
SCHEMBL13849196 0.87 CHEK1 (0.45) CHEK1FLT3DHODHPDPK1WNT1
SCHEMBL4106602 0.87 CHEK1 (0.45) CHEK1FLT3DHODHPDPK1PIP5K1C
SCHEMBL13849199 0.87 FLT3 (0.43) CHEK1FLT3DHODHWNT1DYRK1A
SCHEMBL13849203 0.86 PAK4 (0.48) CHEK1FLT3DHODHPDPK1SMYD3
SCHEMBL13849246 0.85 FLT3 (0.49) CHEK1FLT3DHODHPDPK1SMYD3
SCHEMBL13849238 0.84 FLT3 (0.48) CHEK1FLT3DHODHPDPK1DYRK1A
SCHEMBL4104351 0.84 FLT3 (0.56) CHEK1FLT3DHODHPDPK1SMYD3

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 CHEK1 2/4885FLT3 344/4885DHODH 2604/4885

“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.