SCHEMBL5873739

SCHEMBL5873739

N#Cc1ccc2nc(N)ccc2c1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.57
BACE1 P56817 10/20 0.53
NCK1 P16333 1/20 0.53
NCF1 P14598 4/20 0.49
NOS1 P29475 3/20 0.48
NOS3 P29474 1/20 0.48
HRH3 Q9Y5N1 1/20 0.46
NOS2 P35228 1/20 0.45
CDC7 O00311 1/20 0.44
CDK2 P24941 1/20 0.44

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
SCHEMBL4681141 0.81 PLAU (0.57) PLAUBACE1NCK1NCF1NOS2
SCHEMBL1036525 0.81 HRH3 (0.46) BACE1HRH3
SCHEMBL4054850 0.77 CYP1A2 (0.57) HRH3
SCHEMBL4382218 0.77 HRH3 (0.46) HRH3
SCHEMBL26093953 0.77 HRH3 (0.46) BACE1HRH3
SCHEMBL25260514 0.77 HRH3 (0.46) HRH3
SCHEMBL28227758 0.77 HRH3 (0.46) BACE1HRH3
SCHEMBL4726210 0.74 CDC7 (0.41) NOS1NOS3CDC7CDK2
SCHEMBL15690528 0.74 HTT (0.44) PLAUBACE1NCK1NOS1NOS3
SCHEMBL4726632 0.74 CDC7 (0.41) NOS1NOS3CDC7CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024220556-A2 HETEROCYCLIC SUMO1 SMALL MOLECULE DEGRADERS AND USE THEREOF HB THERAPEUTICS, INC. (US) 2024-10-24 WO disclosed
EP-4093400-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF The Trustees of Princeton University (US) 2022-11-30 EP disclosed
EP-3604326-A1 PEPTIDE COMPOUND AND METHOD FOR PRODUCING SAME, COMPOSITION FOR SCREENING USE, AND METHOD FOR SELECTING PEPTIDE COMPOUND FUJIFILM Corporation (JP) 2020-02-05 EP disclosed
US-7084156-B2 2-Aminoquinoline compounds MERCK & CO., INC. (US) 2006-08-01 US disclosed
US-20050026915-A1 2-Aminoquinoline compounds MERCK SHARP & DOHME CORP. 2005-02-03 US disclosed
EP-1450801-A2 2-AMINOQUINOLINE COMPOUNDS Merck & Co., Inc. (US) 2004-09-01 EP disclosed
WO-2003045313-A2 2-AMINOQUINOLINE COMPOUNDS MERCK & CO. INC. (US) 2003-06-05 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 (1 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-20050026915-A1 2-Aminoquinoline compounds MCHR1, MCHR2, MC5R PLAU 4780/4885BACE1 1078/4885NCK1 1783/4885

“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.