SCHEMBL5873665

SCHEMBL5873665

Nc1ccc2cc(C(=O)c3ccc4nc(N)ccc4c3)ccc2n1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PLAU P00749 4/20 0.57
BACE1 P56817 11/20 0.53
NCK1 P16333 1/20 0.53
NCF1 P14598 5/20 0.49
NOS2 P35228 1/20 0.45
ABL1 P00519 1/20 0.44
FABP6 P51161 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
SCHEMBL29389588 0.87 PLAU (0.55) PLAUBACE1NCK1NCF1NOS2
SCHEMBL2671474 0.87 PLAU (0.55) PLAUBACE1NCK1NCF1NOS2
SCHEMBL5873677 0.87 PLAU (0.55) PLAUBACE1NCK1NCF1NOS2
Potassium SCHEMBL4980046 0.85 PLAU (0.54) PLAUBACE1NCK1NCF1
SCHEMBL4980037 0.85 PLAU (0.54) PLAUBACE1NCK1NCF1
SCHEMBL4403751 0.85 BACE1 (0.55) PLAUBACE1NCK1NCF1NOS2
Hydrochloric Acid SCHEMBL4680889 0.85 PLAU (0.54) PLAUBACE1NCK1NCF1
Potassium Ion SCHEMBL3231217 0.84 PLAU (0.52) PLAUBACE1NCK1NCF1NOS2
SCHEMBL23535667 0.81 HTT (0.59) PLAUBACE1NCK1NCF1
SCHEMBL4149851 0.81 BACE1 (0.50) PLAUBACE1NCK1NCF1NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.