SCHEMBL4148570

SCHEMBL4148570

Clc1cccc([CH]c2cncc(-c3ccncc3)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.41
PDGFRB P09619 1/20 0.41
PDGFRA P16234 1/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
MEN1 O00255 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
FLT3 P36888 2/20 0.40
DAPK3 O43293 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
KDR P35968 1/20 0.39
CHRM5 P08912 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
GRM2 Q14416 1/20 0.38

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
SCHEMBL7971923 0.82 CHRM5 (0.47) CYP1A2CYP3A4CYP2D6MEN1CYP2C9
SCHEMBL8435518 0.77 CYP1A1 (0.54) CYP1A2CYP3A4CYP2D6DAPK3NPSR1
SCHEMBL8438601 0.76 CHRM5 (0.42) CYP1A2CYP3A4CYP2D6MEN1CYP2C9
SCHEMBL3300271 0.74 CHRM5 (0.62) CYP1A2CYP2D6MEN1CYP2C9CYP2C19
SCHEMBL7968716 0.73 POLB (0.41) CYP1A2CYP3A4CYP2D6MEN1CYP2C9
SCHEMBL550283 0.70 NOTUM (0.54) FLT3KDRMAPTGRM2GSK3B
SCHEMBL7958570 0.70 CYP11B2 (0.46) MAPK1CYP1A2CYP3A4CYP2D6DAPK3
SCHEMBL7969830 0.70 TP53 (0.43) CYP1A2CYP3A4MEN1CYP2C9CYP2C19
SCHEMBL4162173 0.70 XDH (0.58) PDGFRBPDGFRAMEN1KMT2AKDR
SCHEMBL6268358 0.70 MAPT (0.61) CYP1A2CYP3A4CYP2D6MEN1CYP2C9

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 MAPK1 382/4885PDGFRB 1244/4885PDGFRA 1484/4885

“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.