SCHEMBL13849202

SCHEMBL13849202

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

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 15/20 0.61
ATR Q13535 2/20 0.47
MAPK8 P45983 1/20 0.45
CHEK1 O14757 1/20 0.43

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 0.97 FLT3 (0.65) FLT3ATRMAPK8
SCHEMBL13849263 0.93 FLT3 (0.56) FLT3ATRCHEK1
SCHEMBL4097273 0.84 BCHE (0.53) FLT3ATRCHEK1
SCHEMBL13849194 0.78 FLT3 (0.47) FLT3CHEK1
SCHEMBL4096515 0.78 FGFR1 (0.54) CHEK1
SCHEMBL31172206 0.76 FLT3 (1.00) FLT3MAPK8CHEK1
SCHEMBL13375110 0.76 CSNK2A2 (0.49) FLT3
SCHEMBL4090783 0.76 CHEK1 (0.56) FLT3CHEK1
SCHEMBL4090790 0.74 CHEK1 (0.43) ATRCHEK1
SCHEMBL13849227 0.74 CHEK1 (0.55) FLT3CHEK1

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 25/4885MAPK8 125/4885

“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.