SCHEMBL5873708

SCHEMBL5873708

NC(=O)Nc1ccc2nc(N)ccc2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 3/20 0.67
MCHR1 Q99705 1/20 0.53
BACE1 P56817 6/20 0.47
NCK1 P16333 1/20 0.47
NPC1 O15118 5/20 0.44
RAB9A P51151 3/20 0.44
NT5E P21589 1/20 0.44
MEN1 O00255 2/20 0.44
MAPT P10636 2/20 0.44
KMT2A Q03164 2/20 0.44
POLB P06746 1/20 0.44
NCF1 P14598 2/20 0.44
KDM4E B2RXH2 1/20 0.44
GLA P06280 1/20 0.44
TNNI3 P19429 1/20 0.44
TNNT2 P45379 1/20 0.44
TNNC1 P63316 1/20 0.44
RUNX1 Q01196 1/20 0.44
CBFB Q13951 1/20 0.44
PEPD P12955 1/20 0.43

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
SCHEMBL5189057 0.82 NPC1 (0.65) PLAUNPC1RAB9AMEN1MAPT
SCHEMBL26613556 0.77 PLAU (0.52) PLAUNPC1RAB9AMAPTKDM4E
SCHEMBL4960580 0.75 NPC1 (0.77) NPC1RAB9AMEN1MAPTKMT2A
SCHEMBL5873649 0.75 PLAU (0.52) PLAUMCHR1BACE1NCK1NCF1
SCHEMBL29024915 0.74 P2RX1 (0.60) PLAUNPC1RAB9A
SCHEMBL29389588 0.74 PLAU (0.55) PLAUBACE1NCK1NCF1
SCHEMBL5873677 0.74 PLAU (0.55) PLAUBACE1NCK1NCF1
SCHEMBL516845 0.73 RAB9A (0.65) NPC1RAB9AMEN1MAPTKMT2A
SCHEMBL4403751 0.72 BACE1 (0.55) PLAUBACE1NCK1MAPTNCF1
SCHEMBL28701986 0.72 PLAU (0.50) PLAUMCHR1BACE1NCK1NCF1

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 4780/4885MCHR1 1/4885BACE1 1078/4885

“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.