SCHEMBL13849264

SCHEMBL13849264

Cc1[nH]nc(-c2nc3cc(Cl)c(C(C)C)cc3[nH]2)c1C(=O)NC1CCNCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 6/20 0.42
PAK4 O96013 1/20 0.38
CHEK1 O14757 2/20 0.38
DHODH Q02127 1/20 0.36
SMYD3 Q9H7B4 2/20 0.36
PRSS12 P56730 1/20 0.35
PTGER1 P34995 1/20 0.35
MAPK8 P45983 1/20 0.35
MAPK10 P53779 1/20 0.35
MAPK14 Q16539 1/20 0.35
TOP2A P11388 1/20 0.34
CDK2 P24941 2/20 0.34
CCNA1 P78396 2/20 0.34
HTR4 Q13639 1/20 0.34
CASK O14936 1/20 0.34
CCNT1 O60563 1/20 0.34
CDKL5 O76039 1/20 0.34
CDK14 O94921 1/20 0.34
CCNB2 O95067 1/20 0.34
CDK1 P06493 1/20 0.34

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
SCHEMBL13849200 0.91 FLT3 (0.45) FLT3PAK4CHEK1DHODHSMYD3
SCHEMBL13849203 0.84 PAK4 (0.48) FLT3PAK4CHEK1DHODHSMYD3
SCHEMBL13849198 0.83 FLT3 (0.45) FLT3PAK4CHEK1DHODHSMYD3
SCHEMBL4104292 0.83 CHEK1 (0.47) FLT3PAK4CHEK1DHODHSMYD3
SCHEMBL13849253 0.82 HTR3A (0.39)
SCHEMBL13849199 0.81 FLT3 (0.43) FLT3PAK4CHEK1DHODHSMYD3
SCHEMBL13849197 0.80 FLT3 (0.43) FLT3PAK4CHEK1DHODHSMYD3
SCHEMBL13849212 0.80 FLT3 (0.48) FLT3PAK4CHEK1DHODHSMYD3
SCHEMBL5952481 0.80 CHEK1 (0.48) FLT3CHEK1SMYD3PDPK1
SCHEMBL4090783 0.80 CHEK1 (0.56) FLT3CHEK1SMYD3PDPK1

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 344/4885PAK4 288/4885CHEK1 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.