SCHEMBL1320349

SCHEMBL1320349

CC(C)n1nc(Cc2cccc(N)c2)c2c(N)ncnc21

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 16/20 0.73
▸ ABL1 P00519 8/20 0.62
▸ HCK P08631 6/20 0.62
▸ RET P07949 3/20 0.57
▸ PIK3CD O00329 5/20 0.56
▸ EGFR P00533 5/20 0.56
▸ KDR P35968 5/20 0.56
▸ PIK3CA P42336 5/20 0.56
▸ MTOR P42345 5/20 0.56
▸ PIK3CG P48736 5/20 0.56
▸ EPHB4 P54760 5/20 0.56
▸ PRKDC P78527 5/20 0.56
▸ PI4KB Q9UBF8 5/20 0.56
▸ PIK3CB P42338 4/20 0.56
▸ AKT1 P31749 1/20 0.54

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
SCHEMBL7511644 0.88 SRC (0.70) SRCABL1HCKRETPIK3CD
SCHEMBL12123675 0.85 SRC (0.70) SRCABL1HCKRETPIK3CD
SCHEMBL14982754 0.85 SRC (0.65) SRCABL1HCKRETPIK3CD
SCHEMBL12068730 0.85 SRC (1.00) SRCABL1HCKRETPIK3CD
SCHEMBL14982740 0.85 SRC (0.81) SRCABL1HCKRETPIK3CD
SCHEMBL1318894 0.84 SRC (0.62) SRCABL1HCKRETPIK3CD
SCHEMBL1318919 0.84 SRC (0.67) SRCABL1HCKRETPIK3CD
SCHEMBL29390662 0.84 SRC (0.66) SRCABL1HCKRETPIK3CD
SCHEMBL12436143 0.84 SRC (0.66) SRCABL1HCKRETPIK3CD
SCHEMBL7515000 0.82 SRC (1.00) SRCABL1HCKRETPIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9353116-B2 Methods and compositions for kinase inhibition THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-05-31 — — US disclosed
US-9353116-B2 Methods and compositions for kinase inhibition THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-05-31 — — US 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-20130137708-A1 METHODS AND COMPOSITIONS FOR KINASE INHIBITION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-05-30 — — US disclosed
US-20130137708-A1 METHODS AND COMPOSITIONS FOR KINASE INHIBITION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-05-30 — — 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 (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-20130137708-A1 METHODS AND COMPOSITIONS FOR KINASE INHIBITION SRC, ABL1, LCK SRC 1/4885ABL1 2/4885HCK 28/4885
US-20120322814-A1 METHODS OF INHIBITING IRE1 XBP1, DNAJC10, HSPA5 SRC 4225/4885ABL1 3874/4885HCK 4332/4885
US-20110275651-A1 FUSED RING HETEROARYL KINASE INHIBITORS CNKSR1, MAP3K20, TTK SRC 180/4885ABL1 46/4885HCK 449/4885

“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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