SCHEMBL1320199

SCHEMBL1320199

Nc1ncnc2c1c(-c1ccc([N+](=O)[O-])cc1)nn2[C@@H]1CCOC1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 14/20 0.63
▸ EGFR P00533 13/20 0.63
▸ PIK3CD O00329 12/20 0.63
▸ PIK3CA P42336 12/20 0.63
▸ PIK3CB P42338 12/20 0.63
▸ PIK3CG P48736 12/20 0.63
▸ PRKDC P78527 12/20 0.63
▸ ABL1 P00519 11/20 0.63
▸ HCK P08631 11/20 0.63
▸ SRC P12931 11/20 0.63
▸ MTOR P42345 11/20 0.63
▸ EPHB4 P54760 11/20 0.63
▸ PI4KB Q9UBF8 9/20 0.63
▸ RET P07949 4/20 0.55
▸ BTK Q06187 2/20 0.48
▸ LCK P06239 1/20 0.48
▸ LYN P07948 1/20 0.48
▸ NUDT14 O95848 1/20 0.46
▸ NUDT5 Q9UKK9 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
SCHEMBL1321276 1.00 KDR (0.63) KDREGFRPIK3CDPIK3CAPIK3CB
SCHEMBL1320201 1.00 KDR (0.63) KDREGFRPIK3CDPIK3CAPIK3CB
SCHEMBL24096737 0.94 PIK3CD (0.55) KDREGFRPIK3CDPIK3CAPIK3CB
SCHEMBL24096491 0.92 PIK3CD (0.52) KDREGFRPIK3CDPIK3CAPIK3CB
SCHEMBL24096494 0.88 SRC (0.58) KDREGFRPIK3CDPIK3CAPIK3CB
SCHEMBL30320566 0.88 SRC (0.58) KDREGFRPIK3CDPIK3CAPIK3CB
SCHEMBL24096513 0.86 PIK3CD (0.62) KDREGFRPIK3CDPIK3CAPIK3CB
SCHEMBL1317762 0.86 PIK3CD (0.65) KDREGFRPIK3CDPIK3CAPIK3CB
SCHEMBL30320584 0.86 PIK3CD (0.62) KDREGFRPIK3CDPIK3CAPIK3CB
SCHEMBL1319000 0.86 KDR (0.71) KDREGFRPIK3CDPIK3CAPIK3CB

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 14 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
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-8980899-B2 Methods of inhibiting Ire1 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-03-17 — — US 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-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
US-20110275651-A1 FUSED RING HETEROARYL KINASE INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-11-10 — — US disclosed
US-20110275651-A1 FUSED RING HETEROARYL KINASE INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-11-10 — — US disclosed
WO-2011047384-A2 METHODS OF INHIBITING IRE1 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-04-21 — — WO disclosed
WO-2010045542-A2 FUSED RING HETEROARYL KINASE INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-04-22 — — 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 (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 KDR 4859/4885EGFR 4349/4885PIK3CD 2956/4885
US-20110275651-A1 FUSED RING HETEROARYL KINASE INHIBITORS CNKSR1, MAP3K20, TTK KDR 837/4885EGFR 985/4885PIK3CD 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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