SCHEMBL7507622

SCHEMBL7507622

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 13/20 1.00
▸ AKT1 P31749 1/20 0.46
▸ JAK2 O60674 5/20 0.45
▸ JAK3 P52333 5/20 0.45
▸ JAK1 P23458 1/20 0.44
▸ PIK3CD O00329 1/20 0.41
▸ ABL1 P00519 1/20 0.41
▸ EGFR P00533 1/20 0.41
▸ HCK P08631 1/20 0.41
▸ KDR P35968 1/20 0.41
▸ PIK3CA P42336 1/20 0.41
▸ MTOR P42345 1/20 0.41
▸ PIK3CG P48736 1/20 0.41
▸ EPHB4 P54760 1/20 0.41
▸ PRKDC P78527 1/20 0.41
▸ PI4KB Q9UBF8 1/20 0.41

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
SCHEMBL7512313 0.88 SRC (1.00) SRCAKT1JAK2JAK3JAK1
SCHEMBL7509503 0.88 SRC (1.00) SRCPIK3CDABL1EGFRHCK
SCHEMBL7512921 0.84 SRC (1.00) SRCPIK3CDABL1EGFRPIK3CA
SCHEMBL1318894 0.78 SRC (0.62) SRCAKT1PIK3CDABL1EGFR
SCHEMBL12120698 0.77 AURKA (0.67) SRCJAK2JAK3ABL1EGFR
SCHEMBL7513391 0.76 SRC (1.00) SRCPIK3CDABL1EGFRHCK
SCHEMBL7515218 0.75 SRC (1.00) SRCPIK3CDABL1EGFRHCK
SCHEMBL12120452 0.75 SRC (0.60) SRCJAK2JAK3ABL1KDR
SCHEMBL1321244 0.74 KDR (0.59) SRCJAK2JAK3ABL1EGFR
SCHEMBL1317955 0.74 SRC (0.58) SRCAKT1PIK3CDABL1EGFR

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 1/4885AKT1 145/4885JAK2 94/4885

“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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