SCHEMBL7560730

SCHEMBL7560730

CC(C)n1nc(-c2cccc(N)c2)c2cncnc21

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 15/20 0.61
▸ PIK3CD O00329 15/20 0.61
▸ PIK3CG P48736 15/20 0.61
▸ MTOR P42345 14/20 0.61
▸ PIK3CB P42338 13/20 0.61
▸ SRC P12931 16/20 0.52
▸ ABL1 P00519 15/20 0.52
▸ PRKDC P78527 13/20 0.52
▸ EGFR P00533 12/20 0.52
▸ HCK P08631 12/20 0.52
▸ KDR P35968 12/20 0.52
▸ EPHB4 P54760 12/20 0.52
▸ PI4KB Q9UBF8 10/20 0.52
▸ RICTOR Q6R327 1/20 0.45
▸ RPTOR Q8N122 1/20 0.45
▸ MAPKAP1 Q9BPZ7 1/20 0.45
▸ MLST8 Q9BVC4 1/20 0.45
▸ RET P07949 1/20 0.45

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
SCHEMBL7508684 0.81 SRC (0.78) PIK3CAPIK3CDPIK3CGMTORPIK3CB
SCHEMBL13845132 0.77 PIK3CD (0.76) PIK3CAPIK3CDPIK3CGMTORPIK3CB
SCHEMBL12070392 0.76 SRC (0.70) PIK3CAPIK3CDPIK3CGMTORPIK3CB
SCHEMBL7519615 0.76 SRC (0.70) PIK3CAPIK3CDPIK3CGMTORPIK3CB
SCHEMBL10175780 0.70 PIK3CD (0.45) PIK3CAPIK3CDPIK3CGMTORPIK3CB
SCHEMBL14574629 0.69 SRC (0.98) PIK3CAPIK3CDPIK3CGMTORPIK3CB
SCHEMBL29390907 0.69 SRC (0.98) PIK3CAPIK3CDPIK3CGMTORPIK3CB
SCHEMBL14574603 0.69 SRC (0.76) PIK3CAPIK3CDPIK3CGMTORPIK3CB
SCHEMBL29390196 0.68 SRC (1.00) PIK3CAPIK3CDPIK3CGMTORPIK3CB
SCHEMBL12437092 0.68 SRC (1.00) PIK3CAPIK3CDPIK3CGMTORPIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9353116-B2 Methods and compositions for kinase inhibition THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-05-31 — — US disclosed
US-9353116-B2 Methods and compositions for kinase inhibition THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-05-31 — — US disclosed
US-9353116-B2 Methods and compositions for kinase inhibition THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-05-31 — — US disclosed
US-20130137708-A1 METHODS AND COMPOSITIONS FOR KINASE INHIBITION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-05-30 — — US disclosed
US-20130137708-A1 METHODS AND COMPOSITIONS FOR KINASE INHIBITION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-05-30 — — US disclosed
US-20130137708-A1 METHODS AND COMPOSITIONS FOR KINASE INHIBITION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-05-30 — — US disclosed
WO-2011153553-A2 METHODS AND COMPOSITIONS FOR KINASE INHIBITION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-12-08 — — 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-20130137708-A1 METHODS AND COMPOSITIONS FOR KINASE INHIBITION SRC, ABL1, LCK PIK3CA 232/4885PIK3CD 333/4885PIK3CG 299/4885

“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.

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