SCHEMBL4147501

SCHEMBL4147501

Fc1ccc(-c2cnc(NCCc3ccncc3)cn2)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 2/20 0.46
CDK9 P50750 2/20 0.43
KDR P35968 5/20 0.39
KMO O15229 2/20 0.37
FYN P06241 1/20 0.37
MKNK1 Q9BUB5 3/20 0.36
MKNK2 Q9HBH9 3/20 0.36
GRM2 Q14416 1/20 0.35
PTGDR Q13258 2/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35

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
SCHEMBL4139867 0.79 TPH1 (0.45) CCNT1MKNK1MKNK2PTGDR
SCHEMBL4148108 0.78 FYN (0.41) CCNT1FYNMKNK1MKNK2PTGDR
SCHEMBL4139805 0.77 FYN (0.56) FYNPTGDR
SCHEMBL4148649 0.75 PTGDR (0.39) CCNT1FYNMKNK1MKNK2PTGDR
SCHEMBL4139796 0.74 CYP1A2 (0.47) KDRMKNK1MKNK2PTGDRGRIN2B
SCHEMBL4152258 0.73 PIM1 (0.52) KDRMKNK1MKNK2PTGDR
SCHEMBL4160480 0.72 PDGFRB (0.50) CCNT1KDRMKNK1MKNK2
SCHEMBL1943667 0.72 FYN (0.72) FYNMKNK1
SCHEMBL1943668 0.71 FYN (0.46) CCNT1KDRFYN
SCHEMBL4143605 0.70 HIF1A (0.47) FYN

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-20090163515-A1 Compounds Which Bind to the Active Site of Protein Kinase Enzymes BIOFOCUS DISCOVERY LTD. 2009-06-25 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-20090163515-A1 Compounds Which Bind to the Active Site of Protein Kinase Enzymes ROCK1, ROCK2, CIT CCNT1 3712/4885CDK9 587/4885KDR 655/4885

“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.