SCHEMBL13849262

SCHEMBL13849262

Cc1[nH]nc(-c2nc3ccc(C(C)C)cc3[nH]2)c1C(=O)NC1CC2CCC(C1)N2C

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 2/20 0.45
HTR3B O95264 2/20 0.45
HTR3A P46098 2/20 0.45
HTR3D Q70Z44 2/20 0.45
HTR3C Q8WXA8 2/20 0.45
FLT3 P36888 7/20 0.42
CHEK1 O14757 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
GSK3B P49841 1/20 0.39
DYRK1A Q13627 1/20 0.39
TLR9 Q9NR96 1/20 0.39
TLR8 Q9NR97 1/20 0.39
TLR7 Q9NYK1 1/20 0.39

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
SCHEMBL13849255 0.89 CHEK1 (0.42) FLT3CHEK1HDAC3HDAC1HDAC2
SCHEMBL13849261 0.81 CHRNA7 (0.42) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL13849258 0.81 CHRNA7 (0.42) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL13850417 0.78 FLT3 (0.39) FLT3HDAC3HDAC1HDAC2HDAC8
SCHEMBL13849208 0.76 NR2E3 (0.44) FLT3CHEK1
SCHEMBL5952481 0.75 CHEK1 (0.48) FLT3CHEK1
SCHEMBL13849221 0.74 CHEK1 (0.42) FLT3CHEK1DYRK1A
SCHEMBL13849252 0.74 EGFR (0.43) FLT3CHEK1DYRK1A
SCHEMBL13849227 0.73 CHEK1 (0.55) FLT3CHEK1DYRK1A
SCHEMBL13849246 0.73 FLT3 (0.49) FLT3CHEK1TLR9TLR8

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 1 patent. 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

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 HTR3E 3784/4885HTR3B 2286/4885HTR3A 2722/4885

“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.