SCHEMBL4097273

SCHEMBL4097273

Cc1[nH]nc(-c2nc3ccccc3[nH]2)c1C(=O)NCCCNC(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.53
BRD4 O60885 6/20 0.50
FLT3 P36888 2/20 0.48
CYP1A2 P05177 1/20 0.41
ATR Q13535 1/20 0.40
CHEK1 O14757 2/20 0.40

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 0.84 FLT3 (0.65) FLT3ATR
SCHEMBL13849202 0.84 FLT3 (0.61) FLT3ATRCHEK1
SCHEMBL13849263 0.82 FLT3 (0.56) BRD4FLT3ATRCHEK1
SCHEMBL31172494 0.82 FLT3 (0.73) FLT3CHEK1
SCHEMBL1645627 0.75 BCHE (0.66) BCHEBRD4FLT3CYP1A2
SCHEMBL13849194 0.74 FLT3 (0.47) FLT3CHEK1
SCHEMBL4096515 0.74 FGFR1 (0.54) BRD4CYP1A2CHEK1
SCHEMBL8329416 0.73 BCHE (0.66) BCHECYP1A2
SCHEMBL4640990 0.73 BCHE (0.87) BCHEBRD4
SCHEMBL4097487 0.72 CHEK1 (0.51) BRD4CHEK1

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 3 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
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 BCHE 3137/4885BRD4 364/4885FLT3 344/4885

“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.