SCHEMBL14974058

SCHEMBL14974058

CC(C)n1nc(-c2cccc(NC(=O)CCl)c2)c2c(N)ncnc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 20/20 1.00
▸ ABL1 P00519 16/20 0.67
▸ PIK3CD O00329 14/20 0.67
▸ PIK3CA P42336 14/20 0.67
▸ PRKDC P78527 14/20 0.67
▸ EGFR P00533 13/20 0.67
▸ HCK P08631 13/20 0.67
▸ KDR P35968 13/20 0.67
▸ MTOR P42345 13/20 0.67
▸ EPHB4 P54760 13/20 0.67
▸ PI4KB Q9UBF8 13/20 0.67
▸ PIK3CG P48736 13/20 0.67
▸ PIK3CB P42338 12/20 0.67
▸ RICTOR Q6R327 1/20 0.57
▸ RPTOR Q8N122 1/20 0.57
▸ MAPKAP1 Q9BPZ7 1/20 0.57
▸ MLST8 Q9BVC4 1/20 0.57

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
SCHEMBL14982737 0.91 SRC (0.84) SRCABL1PIK3CDPIK3CAPRKDC
SCHEMBL7520883 0.85 SRC (1.00) SRCABL1PIK3CDPIK3CAPRKDC
SCHEMBL12123684 0.83 SRC (0.71) SRCABL1PIK3CDPIK3CAPRKDC
SCHEMBL7515173 0.83 SRC (0.76) SRCABL1PIK3CDPIK3CAPRKDC
SCHEMBL12120509 0.82 SRC (0.70) SRCABL1PIK3CDPIK3CAPRKDC
SCHEMBL12123667 0.81 SRC (0.69) SRCABL1PIK3CDPIK3CAPRKDC
SCHEMBL2469922 0.81 SRC (1.00) SRCABL1PIK3CDPIK3CAPRKDC
SCHEMBL2432675 0.80 SRC (1.00) SRCABL1PIK3CDPIK3CAPRKDC
SCHEMBL12123296 0.79 ABL1 (0.73) SRCABL1PIK3CDPIK3CAPRKDC
SCHEMBL31186996 0.79 SRC (0.84) SRCABL1PIK3CDPIK3CAPRKDC

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 6 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

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 2/4885PIK3CD 333/4885

“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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