SCHEMBL4928375

SCHEMBL4928375

COc1ccc(Nc2nccc(-c3ccc(Cl)c(Cl)c3)n2)cn1.COc1ccc(Nc2nccc(-c3cccc(Cn4cncn4)c3)n2)cn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 4/20 0.53
PIK3CG P48736 4/20 0.53
PIK3CB P42338 3/20 0.53
DYRK1A Q13627 3/20 0.43
CLK4 Q9HAZ1 3/20 0.43
CLK1 P49759 2/20 0.43
CYP19A1 P11511 2/20 0.42
STS P08842 1/20 0.42
MAPK10 P53779 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CDK5 Q00535 1/20 0.40
KMT2A Q03164 1/20 0.40
CDK5R1 Q15078 1/20 0.40
MAPK1 P28482 2/20 0.40
ACVR1 Q04771 1/20 0.40
MAPK3 P27361 1/20 0.40
CLK2 P49760 1/20 0.40
DYRK1B Q9Y463 1/20 0.40

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
SCHEMBL4784893 0.94 CYP19A1 (0.45) PIK3CAPIK3CGPIK3CBCYP19A1MAPK10
SCHEMBL4738283 0.82 MEN1 (0.59) PIK3CAPIK3CGPIK3CBCYP19A1STS
SCHEMBL4735908 0.82 PIK3CG (0.69) PIK3CAPIK3CGPIK3CBDYRK1ACLK4
SCHEMBL4909096 0.82 PIK3CG (0.59) PIK3CAPIK3CGPIK3CBDYRK1ACLK4
SCHEMBL4795643 0.80 PRKCA (0.54) PIK3CAPIK3CGPIK3CBMEN1NPC1
SCHEMBL4733854 0.79 PLK1 (0.58) CYP19A1MAPK10MEN1NPC1RAB9A
SCHEMBL4735369 0.77 MAPK10 (0.49) CYP19A1MAPK10MEN1NPC1RAB9A
SCHEMBL4732923 0.77 CDK5 (0.52) PIK3CAPIK3CGPIK3CBMEN1NPC1
SCHEMBL4732826 0.76 JAK2 (0.59) PIK3CAPIK3CGPIK3CBCLK4CLK1
SCHEMBL4909103 0.75 PLK1 (0.50) CYP19A1MAPK10PLK1KDREGFR

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-20080153822-A1 Methods of treating pain INGENIUM PHARMACEUTICALS GMBH (DE) 2008-06-26 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-20080153822-A1 Methods of treating pain OPRL1, ACHE, OPRK1 PIK3CA 4390/4885PIK3CG 4311/4885PIK3CB 4543/4885

“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.