SCHEMBL1320032

SCHEMBL1320032

Nc1ncnc2[nH]nc(-c3ccc([N+](=O)[O-])cc3)c12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.64
PIK3CA P42336 2/20 0.64
PIK3CB P42338 2/20 0.64
PIK3CG P48736 2/20 0.64
PRKDC P78527 2/20 0.64
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C19 P33261 1/20 0.50
ABCC8 Q09428 1/20 0.47
KCNJ11 Q14654 1/20 0.47
MAPT P10636 4/20 0.45
LMNA P02545 2/20 0.45
ADK P55263 1/20 0.43
CLK1 P49759 1/20 0.42
HPGD P15428 1/20 0.42
NOTUM Q6P988 1/20 0.41
XDH P47989 2/20 0.41
CCNE2 O96020 1/20 0.41

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
SCHEMBL30387445 0.84 PIK3CD (0.67) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL30387175 0.82 PIK3CD (0.55) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL29923725 0.81 PIK3CD (0.45) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL15613778 0.79 PIK3CD (0.42) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL5065122 0.79 PIK3CD (0.57) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL3715031 0.79 SRC (0.57) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL11325 0.79 PIK3CG (0.49) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL3782102 0.79 PIK3CD (0.57) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL19414397 0.79 LRRK2 (0.50) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL408618 0.79 PIK3CD (0.55) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230111917-A1 KINASE ANTAGONISTS UNIV CALIFORNIA (US) 2023-04-13 US disclosed
EP-2551270-B1 PYRAZOLOPYRIMIDINE DERIVATIVES FOR USE AS PI3 KINASE ANTAGONISTS UNIV CALIFORNIA (US) 2019-06-12 EP disclosed
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
EP-2358720-A2 FUSED RING HETEROARYL KINASE INHIBITORS The Regents of the University of California (US) 2011-08-24 EP disclosed
WO-2011047384-A2 METHODS OF INHIBITING IRE1 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-04-21 WO 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
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 (3 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 PIK3CD 2956/4885PIK3CA 3212/4885PIK3CB 2334/4885
US-20230111917-A1 KINASE ANTAGONISTS MTOR, RPS6KA3, AKT3 PIK3CD 12/4885PIK3CA 4/4885PIK3CB 21/4885
US-20110275651-A1 FUSED RING HETEROARYL KINASE INHIBITORS CNKSR1, MAP3K20, TTK PIK3CD 276/4885PIK3CA 269/4885PIK3CB 183/4885

“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.