SCHEMBL980536

SCHEMBL980536

Cc1noc(C)c1-c1cccc(N)c1

nearest known ligand 0.76

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.76
BRD4 O60885 15/20 0.62
BRD2 P25440 6/20 0.62
CREBBP Q92793 4/20 0.59
JAK2 O60674 1/20 0.52
BRD3 Q15059 2/20 0.51
TDO2 P48775 1/20 0.50
NPC1 O15118 1/20 0.50
POLB P06746 1/20 0.50
CASP3 P42574 1/20 0.50
RAB9A P51151 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
ATAD2 Q6PL18 1/20 0.50
ERN1 O75460 1/20 0.47

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
Hydrochloric Acid SCHEMBL1016039 0.98 MAP4K4 (0.73) MAP4K4BRD4BRD2CREBBPJAK2
SCHEMBL12487 0.82 NPC1 (0.69) MAP4K4BRD4BRD2CREBBPBRD3
SCHEMBL5422346 0.82 PTGS2 (0.70) MAP4K4BRD4BRD2
SCHEMBL30718452 0.81 BRD4 (0.67) MAP4K4BRD4BRD2CREBBPNPC1
SCHEMBL16404612 0.79 BRD4 (0.62) MAP4K4BRD4BRD2CREBBPBRD3
SCHEMBL9657290 0.79 BRD4 (0.62) MAP4K4BRD4BRD2CREBBPBRD3
SCHEMBL16246450 0.79 BRD4 (0.62) MAP4K4BRD4BRD2CREBBPBRD3
SCHEMBL20946455 0.79 BRD4 (0.57) MAP4K4BRD4BRD2CREBBPBRD3
SCHEMBL3885694 0.78 BRD4 (0.66) BRD4BRD2CREBBPJAK2BRD3
SCHEMBL5714189 0.78 BRD4 (0.61) MAP4K4BRD4BRD2CREBBPBRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP claimed
WO-2018139876-A1 NOVEL [1,2,4]TRIAZOLO[4, 3-A]QUINOXALINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING BET PROTEIN-RELATED DISEASES, CONTAINING SAME AS ACTIVE INGREDIENT 동화약품주식회사 2018-08-02 WO disclosed
US-8642788-B2 Activators of executioner procaspases 3, 6 and 7 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-02-04 US disclosed
EP-2496576-B1 IMIDAZO[4,5-C]QUINOLINE DERIVATIVES AS BROMODOMAIN INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-12-18 EP disclosed
US-8557984-B2 Imidazo [4, 5-C] quinoline derivatives as bromodomain inhibitors GLAXOSMITHKLINE LLC (US) 2013-10-15 US disclosed
US-8557984-B2 Imidazo [4, 5-C] quinoline derivatives as bromodomain inhibitors GLAXOSMITHKLINE LLC (US) 2013-10-15 US disclosed
US-8557984-B2 Imidazo [4, 5-C] quinoline derivatives as bromodomain inhibitors GLAXOSMITHKLINE LLC (US) 2013-10-15 US disclosed
US-20120232074-A1 Imidazo [4, 5-C] Quinoline Derivatives As Bromodomain Inhibitors GLAXOSMITHKLINE LLC 2012-09-13 US disclosed
US-20120232074-A1 Imidazo [4, 5-C] Quinoline Derivatives As Bromodomain Inhibitors GLAXOSMITHKLINE LLC 2012-09-13 US disclosed
US-20120232074-A1 Imidazo [4, 5-C] Quinoline Derivatives As Bromodomain Inhibitors GLAXOSMITHKLINE LLC 2012-09-13 US disclosed
EP-2496576-A1 IMIDAZO [4, 5-C]QUINOLINE DERIVATES AS BROMODOMAIN INHIBITORS GlaxoSmithKline LLC (US) 2012-09-12 EP disclosed
WO-2011054846-A1 IMIDAZO [4, 5-C] QUINOLINE DERIVATES AS BROMODOMAIN INHIBITORS GLAXOSMITHKLINE LLC (US) 2011-05-12 WO disclosed
WO-2011054846-A1 IMIDAZO [4, 5-C] QUINOLINE DERIVATES AS BROMODOMAIN INHIBITORS GLAXOSMITHKLINE LLC (US) 2011-05-12 WO disclosed
US-20110021522-A1 ACTIVATORS OF EXECUTIONER PROCASPASES 3, 6 AND 7 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-01-27 US disclosed
EP-2237784-A1 ACTIVATORS OF EXECUTIONER PROCASPASES 3, 6 AND 7 The Regents of the University of California (US) 2010-10-13 EP disclosed
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP disclosed
WO-2009089508-A1 ACTIVATORS OF EXECUTIONER PROCASPASES 3, 6 AND 7 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-07-16 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-20110021522-A1 ACTIVATORS OF EXECUTIONER PROCASPASES 3, 6 AND 7 CASP7, CASP3, CASP6 MAP4K4 2317/4885BRD4 912/4885BRD2 2426/4885
US-20120232074-A1 Imidazo [4, 5-C] Quinoline Derivatives As Bromodomain Inhibitors BRD4, BRD3, BRPF3 MAP4K4 355/4885BRD4 1/4885BRD2 5/4885

“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.