SCHEMBL1318725

SCHEMBL1318725

Nc1cccc(Cc2nn(Cc3ccccc3)c3ncnc(N)c23)c1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 3/20 0.60
▸ PIK3CD O00329 2/20 0.55
▸ PIK3CA P42336 2/20 0.55
▸ PIK3CB P42338 2/20 0.55
▸ PIK3CG P48736 2/20 0.55
▸ PRKDC P78527 2/20 0.55
▸ SRC P12931 8/20 0.54
▸ AKT1 P31749 1/20 0.51
▸ RET P07949 1/20 0.49
▸ PRMT5 O14744 1/20 0.48
▸ KDM4E B2RXH2 2/20 0.45
▸ TSHR P16473 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ MERTK Q12866 1/20 0.45
▸ JAK2 O60674 1/20 0.42
▸ JAK1 P23458 1/20 0.42
▸ JAK3 P52333 1/20 0.42

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
SCHEMBL12123495 0.85 SRC (0.52) BTKPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL1319216 0.84 PIK3CD (0.48) BTKPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL1318894 0.81 SRC (0.62) BTKPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL12436039 0.81 SRC (0.65) BTKPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL29390295 0.81 SRC (0.65) BTKPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL19731412 0.80 BTK (0.61) BTKPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL19731411 0.79 BTK (0.60) BTKPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL29589300 0.79 BTK (0.60) BTKPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL1320349 0.79 SRC (0.73) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL1318810 0.79 SRC (0.79) BTKPIK3CDPIK3CAPIK3CBPIK3CG

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 12 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
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 BTK 4429/4885PIK3CD 2956/4885PIK3CA 3212/4885
US-20110275651-A1 FUSED RING HETEROARYL KINASE INHIBITORS CNKSR1, MAP3K20, TTK BTK 315/4885PIK3CD 276/4885PIK3CA 269/4885

“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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