SCHEMBL12123449

SCHEMBL12123449

Nc1ncnc2c1c(-c1ccc(N=O)cc1)nn2CCCO

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 8/20 0.51
▸ MTOR P42345 5/20 0.51
▸ PIK3CD O00329 5/20 0.51
▸ PIK3CA P42336 5/20 0.51
▸ PIK3CB P42338 5/20 0.51
▸ PIK3CG P48736 5/20 0.51
▸ PRKDC P78527 5/20 0.51
▸ HDAC1 Q13547 4/20 0.51
▸ ABL1 P00519 3/20 0.51
▸ EGFR P00533 3/20 0.51
▸ HCK P08631 3/20 0.51
▸ KDR P35968 3/20 0.51
▸ EPHB4 P54760 3/20 0.51
▸ PI4KB Q9UBF8 1/20 0.51
▸ FGFR2 P21802 2/20 0.49
▸ FGFR1 P11362 2/20 0.49
▸ FGFR4 P22455 2/20 0.49
▸ FGFR3 P22607 1/20 0.49
▸ YES1 P07947 2/20 0.49
▸ FGR P09769 2/20 0.49

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
SCHEMBL1320126 0.87 SRC (0.55) SRCMTORPIK3CDPIK3CAPIK3CB
SCHEMBL1319395 0.82 SRC (0.49) SRCMTORPIK3CDPIK3CAPIK3CB
SCHEMBL15916593 0.80 BTK (0.67) SRCEGFRHCKYES1FGR
SCHEMBL29780889 0.79 SRC (0.64) SRCMTORPIK3CDPIK3CAPIK3CB
SCHEMBL12123331 0.79 NUDT14 (0.62) SRCMTORPIK3CDPIK3CAPIK3CB
SCHEMBL21308414 0.75 SRC (0.59) SRCMTORPIK3CDPIK3CAPIK3CB
SCHEMBL27088117 0.75 MTOR (0.61) SRCMTORPIK3CDPIK3CAPIK3CB
SCHEMBL29998165 0.75 MTOR (0.61) SRCMTORPIK3CDPIK3CAPIK3CB
SCHEMBL14471394 0.74 SRC (0.61) SRCMTORPIK3CDPIK3CAPIK3CB
SCHEMBL2361494 0.74 KDM4E (0.68) SRCMTORPIK3CDPIK3CAPIK3CB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110275651-A1 FUSED RING HETEROARYL KINASE INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-11-10 — — 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-20110275651-A1 FUSED RING HETEROARYL KINASE INHIBITORS CNKSR1, MAP3K20, TTK SRC 180/4885MTOR 400/4885PIK3CD 276/4885

“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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