SCHEMBL1319395

SCHEMBL1319395

Nc1ncnc2c1c(-c1ccc([N+](=O)[O-])cc1)nn2CCCO

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 6/20 0.49
▸ MTOR P42345 10/20 0.49
▸ HDAC1 Q13547 4/20 0.49
▸ PIK3CD O00329 3/20 0.49
▸ ABL1 P00519 3/20 0.49
▸ EGFR P00533 3/20 0.49
▸ HCK P08631 3/20 0.49
▸ KDR P35968 3/20 0.49
▸ PIK3CA P42336 3/20 0.49
▸ PIK3CB P42338 3/20 0.49
▸ PIK3CG P48736 3/20 0.49
▸ EPHB4 P54760 3/20 0.49
▸ PRKDC P78527 3/20 0.49
▸ PI4KB Q9UBF8 1/20 0.49
▸ FGFR2 P21802 2/20 0.48
▸ FGFR1 P11362 2/20 0.48
▸ FGFR4 P22455 2/20 0.48
▸ FGFR3 P22607 1/20 0.48
▸ YES1 P07947 1/20 0.47
▸ FGR P09769 1/20 0.47

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 0.85 SRC (0.55) SRCMTORHDAC1PIK3CDABL1
SCHEMBL13019921 0.84 PIK3CD (0.60) SRCMTORPIK3CDABL1EGFR
SCHEMBL12123449 0.82 SRC (0.51) SRCMTORHDAC1PIK3CDABL1
SCHEMBL24096507 0.82 CYP1A2 (0.59) SRCMTORPIK3CDABL1EGFR
SCHEMBL12120631 0.81 SRC (0.47) SRCMTORHDAC1PIK3CDABL1
SCHEMBL1319408 0.80 NUDT14 (0.59) SRCMTORPIK3CDABL1EGFR
SCHEMBL24862275 0.80 FGFR1 (0.79) FGFR2FGFR1FGFR4FGFR3
SCHEMBL15916593 0.78 BTK (0.67) SRCEGFRHCKYES1FGR
SCHEMBL29780889 0.78 SRC (0.64) SRCMTORPIK3CDABL1EGFR
SCHEMBL29998165 0.75 MTOR (0.61) SRCMTORHDAC1PIK3CDABL1

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
EP-2358720-B1 FUSED RING HETEROARYL KINASE INHIBITORS UNIV CALIFORNIA (US) 2016-03-02 — — EP disclosed
US-8980899-B2 Methods of inhibiting Ire1 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-03-17 — — US disclosed
US-8697709-B2 Fused ring heteroaryl kinase inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-04-15 — — US disclosed
US-20120322814-A1 METHODS OF INHIBITING IRE1 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-12-20 — — US disclosed
US-20120322814-A1 METHODS OF INHIBITING IRE1 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-12-20 — — US disclosed
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 (2 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-20120322814-A1 METHODS OF INHIBITING IRE1 XBP1, DNAJC10, HSPA5 SRC 4225/4885MTOR 3179/4885HDAC1 3480/4885
US-20110275651-A1 FUSED RING HETEROARYL KINASE INHIBITORS CNKSR1, MAP3K20, TTK SRC 180/4885MTOR 400/4885HDAC1 656/4885

“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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