SCHEMBL13849219

SCHEMBL13849219

Cc1[nH]nc(-c2nc3cc4cn[nH]c4cc3[nH]2)c1C(=O)NCC1CCNCC1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 5/20 0.45
HTR3A P46098 1/20 0.36
HTR4 Q13639 1/20 0.36
ADORA2B P29275 2/20 0.36
EP300 Q09472 1/20 0.35
CHRM1 P11229 2/20 0.35
SMYD3 Q9H7B4 1/20 0.34
PBK Q96KB5 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
SCHEMBL13849199 0.87 FLT3 (0.43) FLT3SMYD3
SCHEMBL13849194 0.82 FLT3 (0.47) FLT3HTR4CHRM1
SCHEMBL13849220 0.82 FLT3 (0.49) FLT3CHRM1SMYD3PBK
SCHEMBL13849224 0.78 FLT3 (0.51) FLT3PBK
SCHEMBL13849213 0.74 POLR1A (0.46) FLT3PBK
SCHEMBL4104292 0.74 CHEK1 (0.47) FLT3HTR4SMYD3
SCHEMBL13849198 0.73 FLT3 (0.45) FLT3SMYD3
SCHEMBL13849200 0.73 FLT3 (0.45) FLT3HTR4SMYD3
SCHEMBL13849243 0.72 FLT3 (0.52) FLT3PBK
SCHEMBL13849197 0.72 FLT3 (0.43) FLT3SMYD3

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 344/4885HTR3A 2722/4885HTR4 3702/4885

“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.