SCHEMBL7508684

SCHEMBL7508684

CC(C)n1nc(-c2cccc(N)c2)c2c(N)ncnc21

nearest known ligand 0.78

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 20/20 0.78
▸ ABL1 P00519 18/20 0.78
▸ PIK3CD O00329 16/20 0.78
▸ PIK3CA P42336 16/20 0.78
▸ PIK3CG P48736 16/20 0.78
▸ PRKDC P78527 16/20 0.78
▸ EGFR P00533 15/20 0.78
▸ HCK P08631 15/20 0.78
▸ KDR P35968 15/20 0.78
▸ MTOR P42345 15/20 0.78
▸ EPHB4 P54760 15/20 0.78
▸ PI4KB Q9UBF8 14/20 0.78
▸ PIK3CB P42338 14/20 0.78

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
SCHEMBL29390907 0.89 SRC (0.98) SRCABL1PIK3CDPIK3CAPIK3CG
SCHEMBL14574629 0.89 SRC (0.98) SRCABL1PIK3CDPIK3CAPIK3CG
SCHEMBL14574603 0.89 SRC (0.76) SRCABL1PIK3CDPIK3CAPIK3CG
SCHEMBL14574624 0.88 SRC (0.74) SRCABL1PIK3CDPIK3CAPIK3CG
SCHEMBL29390196 0.88 SRC (1.00) SRCABL1PIK3CDPIK3CAPIK3CG
SCHEMBL12437092 0.88 SRC (1.00) SRCABL1PIK3CDPIK3CAPIK3CG
SCHEMBL409057 0.88 SRC (1.00) SRCABL1PIK3CDPIK3CAPIK3CG
SCHEMBL3630418 0.87 SRC (0.76) SRCABL1PIK3CDPIK3CAPIK3CG
SCHEMBL2467650 0.85 SRC (1.00) SRCABL1PIK3CDPIK3CAPIK3CG
SCHEMBL29388059 0.85 SRC (0.71) SRCABL1PIK3CDPIK3CAPIK3CG

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 SRC 1/4885ABL1 2/4885PIK3CD 333/4885

“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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