SCHEMBL13849237

SCHEMBL13849237

Cc1[nH]nc(-c2nc3ccc(C(=O)NCC(O)c4ccccc4)cc3[nH]2)c1C(=O)NC1CCNCC1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.47
FLT3 P36888 11/20 0.47
SMYD3 Q9H7B4 1/20 0.42
ABL1 P00519 1/20 0.40
PAK4 O96013 1/20 0.39
CDK2 P24941 1/20 0.39
ACSS2 Q9NR19 1/20 0.39
DHODH Q02127 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
SCHEMBL13849228 0.93 CHEK1 (0.47) CHEK1FLT3SMYD3ABL1PAK4
SCHEMBL13849231 0.84 FLT3 (0.50) CHEK1FLT3SMYD3CDK2
SCHEMBL4104351 0.84 FLT3 (0.56) CHEK1FLT3SMYD3DHODH
SCHEMBL4095689 0.81 FLT3 (0.49) CHEK1FLT3SMYD3DHODH
SCHEMBL4090783 0.80 CHEK1 (0.56) CHEK1FLT3SMYD3
SCHEMBL13849256 0.80 CHEK1 (0.50) CHEK1FLT3SMYD3
SCHEMBL4104292 0.80 CHEK1 (0.47) CHEK1FLT3SMYD3PAK4DHODH
SCHEMBL13849246 0.78 FLT3 (0.49) CHEK1FLT3SMYD3PAK4DHODH
SCHEMBL13849238 0.77 FLT3 (0.48) CHEK1FLT3SMYD3ABL1PAK4
SCHEMBL13849193 0.77 FLT3 (0.52) CHEK1FLT3SMYD3DHODH

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 CHEK1 2/4885FLT3 344/4885SMYD3 1065/4885

“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.