SCHEMBL13849243

SCHEMBL13849243

Cc1[nH]nc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)c1C(=O)NCC1CCCNC1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 6/20 0.52
CHEK1 O14757 1/20 0.42
DGAT1 O75907 3/20 0.41
SOAT1 P35610 1/20 0.41
FGFR1 P11362 1/20 0.40
FLT1 P17948 1/20 0.40
CHEK2 O96017 1/20 0.39
NPBWR1 P48145 1/20 0.39
PBK Q96KB5 5/20 0.38
TLR9 Q9NR96 1/20 0.38
TLR8 Q9NR97 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
SCN9A Q15858 1/20 0.37

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
SCHEMBL13849224 0.85 FLT3 (0.51) FLT3CHEK1CHEK2PBK
SCHEMBL13849220 0.81 FLT3 (0.49) FLT3CHEK1CHEK2PBKTLR9
SCHEMBL13849241 0.81 FLT3 (0.47) FLT3CHEK1DGAT1SOAT1FGFR1
SCHEMBL13849194 0.76 FLT3 (0.47) FLT3CHEK1FGFR1FLT1
SCHEMBL13849238 0.73 FLT3 (0.48) FLT3CHEK1FGFR1FLT1CHEK2
SCHEMBL13849219 0.72 FLT3 (0.45) FLT3PBK
SCHEMBL13849213 0.72 POLR1A (0.46) FLT3CHEK1CHEK2PBKTLR9
SCHEMBL4096532 0.72 FLT3 (0.43) FLT3CHEK1PBK
SCHEMBL13849205 0.71 CHEK1 (0.51) FLT3CHEK1PBK
SCHEMBL31172299 0.68 FLT3 (1.00) FLT3

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 344/4885CHEK1 2/4885DGAT1 3340/4885

“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.