SCHEMBL7514328

SCHEMBL7514328

C=CS(=O)(=O)Nc1cccc(-c2nn(C(C)C)c3ncnc(N)c23)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 20/20 1.00
▸ ABL1 P00519 12/20 0.79
▸ PIK3CD O00329 11/20 0.79
▸ PIK3CA P42336 11/20 0.79
▸ PIK3CG P48736 11/20 0.79
▸ PRKDC P78527 11/20 0.79
▸ EGFR P00533 10/20 0.79
▸ HCK P08631 10/20 0.79
▸ KDR P35968 10/20 0.79
▸ MTOR P42345 10/20 0.79
▸ EPHB4 P54760 10/20 0.79
▸ PI4KB Q9UBF8 9/20 0.79
▸ PIK3CB P42338 8/20 0.66

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
SCHEMBL7513369 0.88 SRC (1.00) SRCABL1PIK3CDPIK3CAPIK3CG
SCHEMBL2432675 0.88 SRC (1.00) SRCABL1PIK3CDPIK3CAPIK3CG
SCHEMBL7520883 0.83 SRC (1.00) SRCABL1PIK3CDPIK3CAPIK3CG
SCHEMBL12070392 0.82 SRC (0.70) SRCABL1PIK3CDPIK3CAPIK3CG
SCHEMBL7509503 0.82 SRC (1.00) SRCABL1PIK3CDPIK3CAPIK3CG
SCHEMBL2469784 0.79 SRC (1.00) SRCABL1PIK3CDPIK3CAPIK3CG
SCHEMBL7508684 0.78 SRC (0.78) SRCABL1PIK3CDPIK3CAPIK3CG
SCHEMBL14982737 0.78 SRC (0.84) SRCABL1PIK3CDPIK3CAPIK3CG
SCHEMBL14974058 0.77 SRC (1.00) SRCABL1PIK3CDPIK3CAPIK3CG
SCHEMBL14574603 0.77 SRC (0.76) 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 8 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
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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