SCHEMBL12819936

SCHEMBL12819936

Nc1ncc(-c2cn3c4c(nc3c(N3CCOCC3)n2)CCCC4)cn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3R1 P27986 20/20 1.00
PIK3CA P42336 20/20 1.00
PIK3CD O00329 3/20 0.68
PIK3CB P42338 2/20 0.68
PIK3CG P48736 2/20 0.68

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
SCHEMBL12819665 0.98 PIK3R1 (1.00) PIK3R1PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL12820305 0.84 PIK3R1 (1.00) PIK3R1PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL12819468 0.82 PIK3R1 (0.69) PIK3R1PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL12819971 0.82 PIK3R1 (0.79) PIK3R1PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL12820304 0.79 PIK3R1 (0.67) PIK3R1PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL1445083 0.78 PIK3R1 (1.00) PIK3R1PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL16881779 0.77 PIK3CA (0.63) PIK3R1PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL12819914 0.77 PIK3R1 (0.61) PIK3R1PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL14725955 0.76 PIK3CA (0.62) PIK3R1PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL14667172 0.76 PIK3R1 (1.00) PIK3R1PIK3CAPIK3CDPIK3CBPIK3CG

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2480549-B1 Fused imidazo[3,2-d]pyrazines as PI3 kinase inhibitors FUNDACIÓN CT NAC DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (ES) 2015-04-08 EP disclosed
US-20130029967-A1 Fused Imidazo [3,2 - D] Pyrazines as P13 Kinase Inhibitors CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2013-01-31 US disclosed
US-20130029967-A1 Fused Imidazo [3,2 - D] Pyrazines as P13 Kinase Inhibitors CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2013-01-31 US disclosed
WO-2011036461-A1 FUSED IMIDAZO [3, 2 - D] PYRAZINES AS PI3 KINASE INHIBITORS CENTRO NACIONAL DE INVESTIGACIONES ONCΌLOGICAS (CNIO) (ES) 2011-03-31 WO 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-20130029967-A1 Fused Imidazo [3,2 - D] Pyrazines as P13 Kinase Inhibitors MTOR, PIK3CA, CDK2 PIK3R1 171/4885PIK3CA 2/4885PIK3CD 65/4885

“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.