SCHEMBL7515218

SCHEMBL7515218

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 19/20 1.00
▸ ABL1 P00519 6/20 0.56
▸ HCK P08631 6/20 0.56
▸ PIK3CD O00329 5/20 0.56
▸ EGFR P00533 5/20 0.56
▸ KDR P35968 5/20 0.56
▸ PIK3CA P42336 5/20 0.56
▸ MTOR P42345 5/20 0.56
▸ PIK3CG P48736 5/20 0.56
▸ EPHB4 P54760 5/20 0.56
▸ PRKDC P78527 5/20 0.56
▸ PI4KB Q9UBF8 5/20 0.56
▸ PIK3CB P42338 3/20 0.48
▸ RET P07949 1/20 0.46

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
SCHEMBL7509503 0.88 SRC (1.00) SRCABL1HCKPIK3CDEGFR
SCHEMBL14982739 0.84 SRC (0.77) SRCABL1HCKPIK3CDEGFR
SCHEMBL1320349 0.81 SRC (0.73) SRCABL1HCKPIK3CDEGFR
SCHEMBL7515173 0.81 SRC (0.76) SRCABL1HCKPIK3CDEGFR
SCHEMBL12120704 0.80 SRC (0.75) SRCABL1HCKPIK3CDEGFR
SCHEMBL7506714 0.80 SRC (1.00) SRCABL1HCK
SCHEMBL16572731 0.80 SRC (0.75) SRCABL1HCKPIK3CDEGFR
SCHEMBL7511644 0.79 SRC (0.70) SRCABL1HCKPIK3CDEGFR
SCHEMBL12123675 0.79 SRC (0.70) SRCABL1HCKPIK3CDEGFR
SCHEMBL12120464 0.78 SRC (0.71) SRCABL1HCKPIK3CDEGFR

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 1/4885ABL1 2/4885HCK 28/4885

“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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