SCHEMBL1318797

SCHEMBL1318797

CC(C)(C)OC(=O)N1CCC(n2nc(-c3ccc([N+](=O)[O-])cc3)c3c(N)ncnc32)C1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 7/20 0.57
▸ SRC P12931 5/20 0.56
▸ EGFR P00533 7/20 0.55
▸ KDR P35968 2/20 0.54
▸ RET P07949 1/20 0.54
▸ ABL1 P00519 2/20 0.54
▸ PIK3CD O00329 1/20 0.54
▸ HCK P08631 1/20 0.54
▸ PIK3CA P42336 1/20 0.54
▸ PIK3CB P42338 1/20 0.54
▸ MTOR P42345 1/20 0.54
▸ PIK3CG P48736 1/20 0.54
▸ EPHB4 P54760 1/20 0.54
▸ PRKDC P78527 1/20 0.54
▸ PI4KB Q9UBF8 1/20 0.54
▸ ITK Q08881 1/20 0.52
▸ FGFR2 P21802 1/20 0.51
▸ ABL2 P42684 1/20 0.51
▸ KIT P10721 1/20 0.51
▸ FLT3 P36888 1/20 0.51

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
SCHEMBL1318798 1.00 BTK (0.57) BTKSRCEGFRKDRRET
SCHEMBL1321013 1.00 BTK (0.57) BTKSRCEGFRKDRRET
SCHEMBL1319872 0.90 SRC (0.61) BTKSRCEGFRKDRRET
SCHEMBL1317966 0.90 SRC (0.61) BTKSRCEGFRKDRRET
SCHEMBL1317965 0.90 SRC (0.61) BTKSRCEGFRKDRRET
SCHEMBL13308583 0.88 EGFR (0.69) BTKSRCEGFRABL1ITK
SCHEMBL18123564 0.85 BTK (0.74) BTKSRCEGFRKDRRET
SCHEMBL6435573 0.85 BTK (0.74) BTKSRCEGFRKDRRET
SCHEMBL13860318 0.85 BTK (0.66) BTKSRCEGFRKDRABL1
SCHEMBL13860319 0.85 BTK (0.66) BTKSRCEGFRKDRABL1

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 5 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

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 4429/4885SRC 4225/4885EGFR 4349/4885
US-20110275651-A1 FUSED RING HETEROARYL KINASE INHIBITORS CNKSR1, MAP3K20, TTK BTK 315/4885SRC 180/4885EGFR 985/4885

“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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