SCHEMBL9107317

SCHEMBL9107317

CN(C)c1nc2cc(Br)ccn2n1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.53
PIK3CG P48736 1/20 0.36
EGLN2 Q96KS0 1/20 0.32
EGFR P00533 1/20 0.32
APP P05067 1/20 0.31
LMNA P02545 1/20 0.31
SLC6A2 P23975 1/20 0.31

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
SCHEMBL9104427 0.85 AHR (0.49) AHRPIK3CG
SCHEMBL9108306 0.82 AHR (0.46) AHRAPP
SCHEMBL20472465 0.82 AHR (0.46) AHR
SCHEMBL9105474 0.82 AHR (0.46) AHR
SCHEMBL21154489 0.80 AHR (0.47) AHRSLC6A2
SCHEMBL9105960 0.79 PIK3CG (0.39) AHRPIK3CGEGLN2LMNA
SCHEMBL31096177 0.77 AHR (0.57) AHR
SCHEMBL616699 0.77 AHR (0.57) AHRPIK3CGLMNA
SCHEMBL9104806 0.76 AHR (0.61) AHRPIK3CG
SCHEMBL29903084 0.75 AHR (0.40) AHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240425491-A1 HETEROARYL COMPOUNDS USEFUL IN THE TREATMENT OF COGNITIVE DISORDERS DRAIG THERAPEUTICS LTD (GB) 2024-12-26 US disclosed
EP-4334301-A1 HETEROARYL COMPOUNDS USEFUL IN THE TREATMENT OF COGNITIVE DISORDERS University College Cardiff Consultants Limited (GB) 2024-03-13 EP disclosed
EP-4105216-A1 DIHYDRONAPHTHYRIDINONE COMPOUND, AND PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF Genfleet Therapeutics (Shanghai) Inc. (CN) 2022-12-21 EP disclosed
WO-2022234271-A1 HETEROARYL COMPOUNDS USEFUL IN THE TREATMENT OF COGNITIVE DISORDERS UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2022-11-10 WO disclosed
EP-2649070-B1 TRIAZOLOPYRIDINE COMPOUNDS HOFFMANN LA ROCHE (CH) 2014-09-17 EP disclosed
EP-2649070-B1 TRIAZOLOPYRIDINE COMPOUNDS HOFFMANN LA ROCHE (CH) 2014-09-17 EP disclosed
EP-2649070-A1 TRIAZOLOPYRIDINE COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2013-10-16 EP disclosed
US-8349824-B2 Triazolopyridine compounds HOFFMANN-LA ROCHE INC. (US) 2013-01-08 US disclosed
US-8349824-B2 Triazolopyridine compounds HOFFMANN-LA ROCHE INC. (US) 2013-01-08 US disclosed
US-8349824-B2 Triazolopyridine compounds HOFFMANN-LA ROCHE INC. (US) 2013-01-08 US disclosed
WO-2012076430-A1 TRIAZOLOPYRIDINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-06-14 WO disclosed
WO-2012076430-A1 TRIAZOLOPYRIDINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-06-14 WO disclosed
US-20120142665-A1 TRIAZOLOPYRIDINE COMPOUNDS HOFFMANN-LA ROCHE INC. 2012-06-07 US disclosed
US-20120142665-A1 TRIAZOLOPYRIDINE COMPOUNDS HOFFMANN-LA ROCHE INC. 2012-06-07 US disclosed
US-20120142665-A1 TRIAZOLOPYRIDINE COMPOUNDS HOFFMANN-LA ROCHE INC. 2012-06-07 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-20120142665-A1 TRIAZOLOPYRIDINE COMPOUNDS PDE5A, PDE3A, PDE3B AHR 4111/4885PIK3CG 2322/4885EGLN2 2464/4885
US-20240425491-A1 HETEROARYL COMPOUNDS USEFUL IN THE TREATMENT OF COGNITIVE DISORDERS GABRA5, GABRB3, GABRA3 AHR 2618/4885PIK3CG 905/4885EGLN2 3836/4885

“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.