SCHEMBL13849263

SCHEMBL13849263

Cc1[nH]nc(-c2nc3ccccc3[nH]2)c1C(=O)NCCN

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 6/20 0.56
ATR Q13535 4/20 0.46
CHEK1 O14757 5/20 0.45
FGFR1 P11362 1/20 0.44
FLT1 P17948 1/20 0.44
BRD4 O60885 1/20 0.44
POLB P06746 1/20 0.42
CDK1 P06493 1/20 0.42
JAK2 O60674 1/20 0.41
CDK4 P11802 1/20 0.41
CCNA2 P20248 1/20 0.41
JAK1 P23458 1/20 0.41
CCND1 P24385 1/20 0.41
CDK2 P24941 1/20 0.41
TYK2 P29597 1/20 0.41
CCND3 P30281 1/20 0.41
JAK3 P52333 1/20 0.41

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
SCHEMBL13849191 0.94 FLT3 (0.65) FLT3ATR
SCHEMBL13849202 0.93 FLT3 (0.61) FLT3ATRCHEK1
SCHEMBL4097273 0.82 BCHE (0.53) FLT3ATRCHEK1BRD4
SCHEMBL13849194 0.81 FLT3 (0.47) FLT3CHEK1FGFR1FLT1
SCHEMBL4096515 0.80 FGFR1 (0.54) CHEK1FGFR1FLT1BRD4JAK2
SCHEMBL4090783 0.78 CHEK1 (0.56) FLT3CHEK1FGFR1FLT1BRD4
SCHEMBL4090790 0.77 CHEK1 (0.43) ATRCHEK1FGFR1FLT1BRD4
SCHEMBL13849227 0.76 CHEK1 (0.55) FLT3CHEK1FGFR1FLT1JAK1
SCHEMBL13849205 0.75 CHEK1 (0.51) FLT3CHEK1CCNA2JAK1CDK2
SCHEMBL13849195 0.74 JAK1 (0.51) CHEK1POLBJAK1

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 1 patent. 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

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 344/4885ATR 25/4885CHEK1 2/4885

“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.