SCHEMBL1320126

SCHEMBL1320126

Nc1ccc(-c2nn(CCCO)c3ncnc(N)c23)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 8/20 0.55
▸ PIK3CD O00329 5/20 0.55
▸ PIK3CA P42336 5/20 0.55
▸ PIK3CB P42338 5/20 0.55
▸ PIK3CG P48736 5/20 0.55
▸ PRKDC P78527 5/20 0.55
▸ MTOR P42345 4/20 0.55
▸ ABL1 P00519 4/20 0.55
▸ EGFR P00533 3/20 0.55
▸ HCK P08631 3/20 0.55
▸ KDR P35968 3/20 0.55
▸ EPHB4 P54760 3/20 0.55
▸ PI4KB Q9UBF8 1/20 0.55
▸ BTK Q06187 1/20 0.55
▸ YES1 P07947 3/20 0.54
▸ FGR P09769 3/20 0.54
▸ CYP1A2 P05177 2/20 0.53
▸ MAPK1 P28482 2/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ TP53 P04637 1/20 0.53

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
SCHEMBL29780889 0.92 SRC (0.64) SRCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL12123449 0.87 SRC (0.51) SRCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL1319395 0.85 SRC (0.49) SRCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL15916593 0.85 BTK (0.67) SRCEGFRHCKBTKYES1
SCHEMBL29052195 0.84 SRC (0.59) SRCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL29781148 0.84 SRC (0.59) SRCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL29781045 0.84 BTK (0.57) SRCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL29781082 0.80 SRC (0.55) SRCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL21308414 0.80 SRC (0.59) SRCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL29052189 0.80 SRC (0.55) SRCPIK3CDPIK3CAPIK3CBPIK3CG

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-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

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 4225/4885PIK3CD 2956/4885PIK3CA 3212/4885
US-20110275651-A1 FUSED RING HETEROARYL KINASE INHIBITORS CNKSR1, MAP3K20, TTK SRC 180/4885PIK3CD 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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