SCHEMBL13849231

SCHEMBL13849231

COCCNC(=O)c1ccc2nc(-c3n[nH]c(C)c3C(=O)NC3CCNCC3)[nH]c2c1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 13/20 0.50
CHEK1 O14757 2/20 0.49
CDK4 P11802 1/20 0.45
CCNA2 P20248 1/20 0.45
CCND1 P24385 1/20 0.45
CDK2 P24941 1/20 0.45
CCND3 P30281 1/20 0.45
SMYD3 Q9H7B4 1/20 0.45
FGFR1 P11362 1/20 0.44
FGFR2 P21802 1/20 0.44
FGFR3 P22607 1/20 0.44
KDR P35968 1/20 0.44
TRPA1 O75762 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
SCHEMBL4104351 0.88 FLT3 (0.56) FLT3CHEK1SMYD3FGFR1FGFR2
SCHEMBL4095689 0.87 FLT3 (0.49) FLT3CHEK1SMYD3FGFR1FGFR2
SCHEMBL13849228 0.84 CHEK1 (0.47) FLT3CHEK1CDK2SMYD3
SCHEMBL13849237 0.84 CHEK1 (0.47) FLT3CHEK1CDK2SMYD3
SCHEMBL13849246 0.82 FLT3 (0.49) FLT3CHEK1SMYD3
SCHEMBL13849238 0.81 FLT3 (0.48) FLT3CHEK1CDK2SMYD3FGFR1
SCHEMBL13849193 0.81 FLT3 (0.52) FLT3CHEK1SMYD3
SCHEMBL13849212 0.81 FLT3 (0.48) FLT3CHEK1CDK2SMYD3
SCHEMBL4090783 0.81 CHEK1 (0.56) FLT3CHEK1SMYD3FGFR1
SCHEMBL13849241 0.80 FLT3 (0.47) FLT3CHEK1SMYD3FGFR1

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 2 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

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 344/4885CHEK1 2/4885CDK4 32/4885

“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.