SCHEMBL12070392

SCHEMBL12070392

C=CS(=O)(=O)Nc1cccc(-c2nn(C(C)C)c3ncncc23)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 13/20 0.70
▸ PIK3CD O00329 5/20 0.53
▸ PIK3CG P48736 5/20 0.53
▸ PIK3CA P42336 4/20 0.53
▸ MTOR P42345 4/20 0.53
▸ ABL1 P00519 4/20 0.53
▸ EGFR P00533 3/20 0.53
▸ HCK P08631 3/20 0.53
▸ KDR P35968 3/20 0.53
▸ EPHB4 P54760 3/20 0.53
▸ PRKDC P78527 3/20 0.53
▸ PI4KB Q9UBF8 3/20 0.53
▸ PIK3CB P42338 3/20 0.46
▸ MERTK Q12866 1/20 0.43
▸ JAK3 P52333 1/20 0.41
▸ CYP1A2 P05177 2/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ CLK4 Q9HAZ1 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPK1 P28482 1/20 0.39

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
SCHEMBL7514328 0.82 SRC (1.00) SRCPIK3CDPIK3CGPIK3CAMTOR
SCHEMBL7519615 0.82 SRC (0.70) SRCPIK3CDPIK3CGPIK3CAMTOR
SCHEMBL7560730 0.76 PIK3CA (0.61) SRCPIK3CDPIK3CGPIK3CAMTOR
SCHEMBL14982760 0.71 SRC (0.70) SRCEGFRJAK3LRRK2
SCHEMBL7513369 0.69 SRC (1.00) SRCPIK3CDPIK3CGPIK3CAMTOR
SCHEMBL2432675 0.69 SRC (1.00) SRCPIK3CDPIK3CGPIK3CAMTOR
SCHEMBL7509503 0.69 SRC (1.00) SRCPIK3CDPIK3CGPIK3CAMTOR
SCHEMBL14982762 0.66 SRC (0.72) SRCABL1EGFRMERTKJAK3
SCHEMBL22721621 0.65 BRD4 (0.57) SRCPIK3CDPIK3CGPIK3CAMTOR
SCHEMBL29539174 0.65 BRD4 (0.57) SRCPIK3CDPIK3CGPIK3CAMTOR

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 1/4885PIK3CD 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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