SCHEMBL4160480

SCHEMBL4160480

c1ccc2ncc(-c3cnc(NCCc4ccncc4)cn3)cc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.50
PDGFRA P16234 1/20 0.50
TPH1 P17752 1/20 0.44
MKNK1 Q9BUB5 8/20 0.43
MKNK2 Q9HBH9 8/20 0.43
CNR2 P34972 1/20 0.43
KDM4E B2RXH2 3/20 0.43
MAPK1 P28482 1/20 0.43
CYP2A6 P11509 1/20 0.42
ACP1 P24666 1/20 0.41
CCNT1 O60563 1/20 0.41
FLT1 P17948 2/20 0.39
KDR P35968 2/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
RAB9A P51151 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
SCHEMBL4139867 0.86 TPH1 (0.45) TPH1MKNK1MKNK2KDM4EACP1
SCHEMBL4161155 0.76 PTGDR (0.51) MKNK1MKNK2CNR2KDM4ECCNT1
SCHEMBL4142715 0.76 MKNK1 (0.48) MKNK1MKNK2CNR2KDM4ECCNT1
SCHEMBL4148108 0.75 FYN (0.41) TPH1MKNK1MKNK2KDM4EMAPK1
SCHEMBL4155177 0.74 PTGDR (0.49) TPH1MKNK1MKNK2KDM4EMAPK1
SCHEMBL13894988 0.73 CNR2 (0.44) PDGFRBPDGFRACNR2KDM4EHTT
SCHEMBL4148649 0.72 PTGDR (0.39) MKNK1MKNK2CNR2KDM4EMAPK1
SCHEMBL31065714 0.72 ALDH1A1 (0.42) TPH1KDM4EMAPK1GAAHTT
SCHEMBL4139805 0.72 FYN (0.56) TPH1CNR2KDM4EHTTALDH1A1
SCHEMBL4147501 0.72 CCNT1 (0.46) MKNK1MKNK2CCNT1KDR

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 PDGFRB 1244/4885PDGFRA 1484/4885TPH1 2806/4885

“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.