SCHEMBL7512921

SCHEMBL7512921

C=CS(=O)(=O)Nc1cccc(Cc2nn(C3CCCC3)c3ncnc(N)c23)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 11/20 1.00
▸ EGFR P00533 2/20 0.53
▸ ABL1 P00519 2/20 0.48
▸ RET P07949 5/20 0.47
▸ BTK Q06187 1/20 0.42
▸ PIK3CD O00329 1/20 0.42
▸ PIK3CA P42336 1/20 0.42
▸ PIK3CB P42338 1/20 0.42
▸ PIK3CG P48736 1/20 0.42
▸ PRKDC P78527 1/20 0.42
▸ ERBB2 P04626 1/20 0.42
▸ ERBB3 P21860 1/20 0.42
▸ TEK Q02763 1/20 0.42
▸ ERBB4 Q15303 1/20 0.42

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
SCHEMBL7507622 0.84 SRC (1.00) SRCEGFRABL1PIK3CDPIK3CA
SCHEMBL14982762 0.83 SRC (0.72) SRCEGFRABL1RET
SCHEMBL7509503 0.81 SRC (1.00) SRCEGFRABL1RETPIK3CD
SCHEMBL7512313 0.81 SRC (1.00) SRCABL1RET
SCHEMBL1318686 0.80 SRC (0.66) SRCEGFRABL1RETBTK
SCHEMBL12120715 0.79 SRC (0.65) SRCEGFRRETERBB2ERBB3
SCHEMBL863906 0.79 SRC (0.64) SRCEGFRABL1RETPIK3CD
SCHEMBL864574 0.79 SRC (0.64) SRCEGFRABL1RETPIK3CD
SCHEMBL863586 0.79 SRC (0.64) SRCEGFRABL1BTKPIK3CD
SCHEMBL12120474 0.77 SRC (0.62) SRCEGFRRETBTKERBB2

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 1/4885EGFR 132/4885ABL1 2/4885

“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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