SCHEMBL7519615

SCHEMBL7519615

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

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 5/20 0.70
▸ JAK3 P52333 4/20 0.50
▸ JAK1 P23458 2/20 0.50
▸ BTK Q06187 6/20 0.49
▸ MAP2K7 O14733 2/20 0.47
▸ AURKA O14965 1/20 0.47
▸ GSK3B P49841 1/20 0.47
▸ ITK Q08881 1/20 0.46
▸ PIK3CD O00329 2/20 0.46
▸ PIK3CA P42336 2/20 0.46
▸ MTOR P42345 2/20 0.46
▸ PIK3CG P48736 2/20 0.46
▸ PIK3CB P42338 1/20 0.46
▸ FGFR4 P22455 1/20 0.45
▸ JAK2 O60674 1/20 0.44
▸ ABL1 P00519 1/20 0.44
▸ EGFR P00533 1/20 0.44
▸ HCK P08631 1/20 0.44
▸ KDR P35968 1/20 0.44
▸ EPHB4 P54760 1/20 0.44

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
SCHEMBL7520883 0.82 SRC (1.00) SRCPIK3CDPIK3CAMTORPIK3CG
SCHEMBL12070392 0.82 SRC (0.70) SRCJAK3PIK3CDPIK3CAMTOR
SCHEMBL7560730 0.76 PIK3CA (0.61) SRCPIK3CDPIK3CAMTORPIK3CG
SCHEMBL28089821 0.72 SRC (0.54) SRCJAK3JAK1BTKMAP2K7
SCHEMBL23721295 0.71 MAP2K7 (0.60) SRCJAK3JAK1BTKMAP2K7
SCHEMBL24151443 0.71 JAK3 (0.51) JAK3JAK1BTKMAP2K7AURKA
SCHEMBL30190466 0.71 JAK3 (0.51) JAK3JAK1BTKMAP2K7AURKA
SCHEMBL14982753 0.71 SRC (0.57) SRCJAK3JAK1BTKMAP2K7
SCHEMBL24151660 0.70 JAK3 (0.58) SRCJAK3JAK1BTKMAP2K7
SCHEMBL30190528 0.70 JAK3 (0.58) SRCJAK3JAK1BTKMAP2K7

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 1/4885JAK3 129/4885JAK1 76/4885

“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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