SCHEMBL14172014

SCHEMBL14172014

COc1ccc(-c2ccnc(Nc3cccc(N=O)c3)n2)cc1

nearest known ligand 0.76

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 9/20 0.76
PIK3CA P42336 8/20 0.76
PIK3CB P42338 7/20 0.76
CDK5 Q00535 2/20 0.71
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58
CDK5R1 Q15078 1/20 0.58
IKBKB O14920 3/20 0.57
SYK P43405 1/20 0.54
EGFR P00533 1/20 0.51
ABL1 P00519 1/20 0.50
BCR P11274 1/20 0.50
BRD4 O60885 1/20 0.50
CDK9 P50750 1/20 0.50

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
SCHEMBL14169345 0.90 PIK3CG (0.67) PIK3CGPIK3CAPIK3CBCDK5MEN1
SCHEMBL4736185 0.83 PIK3CG (0.80) PIK3CGPIK3CAPIK3CBCDK5MEN1
SCHEMBL4733859 0.83 PIK3CG (0.80) PIK3CGPIK3CAPIK3CBCDK5MEN1
SCHEMBL10977837 0.82 PIK3CG (0.78) PIK3CGPIK3CAPIK3CBCDK5MEN1
SCHEMBL4733655 0.81 PIK3CG (0.76) PIK3CGPIK3CAPIK3CBCDK5MEN1
SCHEMBL7464195 0.78 PIK3CG (0.83) PIK3CGPIK3CAPIK3CBCDK5MEN1
SCHEMBL14163090 0.78 CDK2 (0.56) CDK5CDK5R1IKBKBSYKABL1
SCHEMBL27116598 0.78 PIK3CG (0.83) PIK3CGPIK3CAPIK3CBCDK5MEN1
SCHEMBL14172776 0.77 PLK1 (0.72) PIK3CGNPC1RAB9ASYKABL1
SCHEMBL4380820 0.76 PIK3CG (0.75) PIK3CGPIK3CAPIK3CBCDK5IKBKB

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 PIK3CG 4311/4885PIK3CA 4390/4885PIK3CB 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.