SCHEMBL557993

SCHEMBL557993

Nc1ncc2ccc(F)cc2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 1/20 0.47
CSNK1E P49674 1/20 0.47
CLK1 P49759 1/20 0.47
DYRK1A Q13627 1/20 0.47
BACE1 P56817 1/20 0.46
TEK Q02763 4/20 0.45
MAPT P10636 1/20 0.43
CDC7 O00311 1/20 0.41
CDK2 P24941 1/20 0.41
ROCK1 Q13464 1/20 0.41
PDGFRB P09619 1/20 0.40
PDGFRA P16234 1/20 0.40
ADORA1 P30542 1/20 0.40
EPHB4 P54760 2/20 0.40
KDR P35968 2/20 0.40
ABL1 P00519 1/20 0.40
AXL P30530 1/20 0.39
GFER P55789 1/20 0.39
LCK P06239 1/20 0.38
JAK3 P52333 1/20 0.38

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
SCHEMBL28798252 0.84 BACE1 (0.55) CSNK1DCSNK1ECLK1DYRK1ABACE1
SCHEMBL27836789 0.79 MAPT (0.45) BACE1MAPTPDGFRBPDGFRAABL1
SCHEMBL24150165 0.79 HTT (0.58) CSNK1DCSNK1ECLK1DYRK1ATEK
SCHEMBL1741867 0.76 BACE1 (0.57) CSNK1DCSNK1ECLK1DYRK1ABACE1
SCHEMBL30380023 0.76 BACE1 (0.57) CSNK1DCSNK1ECLK1DYRK1ABACE1
SCHEMBL7707767 0.76 PIK3CG (0.53) CSNK1DCSNK1ECLK1DYRK1ATEK
SCHEMBL25052261 0.76 CLK1 (0.47) CSNK1DCSNK1ECLK1DYRK1ATEK
SCHEMBL558609 0.76 KDM4E (0.46) BACE1MAPTPDGFRBPDGFRAABL1
SCHEMBL22449721 0.76 CYP1A2 (0.50) CSNK1DCSNK1ECLK1DYRK1ABACE1
SCHEMBL30673769 0.76 MAPT (0.43) BACE1MAPTPDGFRBPDGFRAABL1

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
CN-118142359-A Anti-pollution and oxidation-resistant reverse osmosis membrane with low-surface-energy coating and preparation method thereof 万华化学集团股份有限公司 2024-06-07 CN claimed
CN-118142359-A Anti-pollution and oxidation-resistant reverse osmosis membrane with low-surface-energy coating and preparation method thereof 万华化学集团股份有限公司 2024-06-07 CN disclosed
US-20160101104-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2016-04-14 US disclosed
US-20150342935-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2015-12-03 US disclosed
US-20150094309-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2015-04-02 US disclosed
US-20140221377-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL MYERS SQUIBB CO (US) 2014-08-07 US disclosed
US-20130131064-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2013-05-23 US disclosed
US-8309577-B2 Quinuclidine compounds as α-7 nicotinic acetylcholine receptor ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-13 US disclosed
EP-2493892-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS Bristol-Myers Squibb Company (US) 2012-09-05 EP disclosed
US-20120035178-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL-MYERS SQUIBB COMPANY 2012-02-09 US disclosed
US-20120035189-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL-MYERS SQUIBB COMPANY 2012-02-09 US disclosed
WO-2011053292-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-05-05 WO disclosed
US-20100099684-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL-MYERS SQUIBB COMPANY 2010-04-22 US disclosed
US-7678803-B2 Heat Shock Protein-90 inhibitors; Antiproliferative agents; cancer, inflammation, arthritis, angiogenesis, viral, fungal and malaria infections; 1-(isoquinoline, quinazoline or pyrimidino(3,2-d)pyridine-substituted)-4,5,6,7-tetrahydroindol-4-ones or 4,5,6,7-pyrazol-4-ones SERENEX, INC. (US) 2010-03-16 US disclosed
EP-2069325-A2 ISOQUINOLINE, QUINAZOLINE AND PHTHALAZINE DERIVATIVES Serenex, Inc. (US) 2009-06-17 EP disclosed
US-20080070935-A1 Isoquinoline, Quinazoline and Phthalazine Derivatives ESANEX, INC. 2008-03-20 US disclosed
WO-2008024977-A2 ISOQUINOLINE, QUINAZOLINE AND PHTHALAZINE DERIVATIVES SERENEX, INC. (US) 2008-02-28 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 (9 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-20100099684-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA5, CHRNA6 CSNK1D 320/4885CSNK1E 471/4885CLK1 3223/4885
US-20120035189-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA5, CHRNA6 CSNK1D 320/4885CSNK1E 471/4885CLK1 3223/4885
US-20120035178-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA5, CHRNA6 CSNK1D 320/4885CSNK1E 471/4885CLK1 3223/4885
US-20140221377-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA5, CHRNA6 CSNK1D 320/4885CSNK1E 471/4885CLK1 3223/4885
US-20080070935-A1 Isoquinoline, Quinazoline and Phthalazine Derivatives H1-5, NDUFS5, IL5 CSNK1D 819/4885CSNK1E 745/4885CLK1 3485/4885
US-20130131064-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA5, CHRNA6 CSNK1D 320/4885CSNK1E 471/4885CLK1 3223/4885
US-20160101104-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 CSNK1D 320/4885CSNK1E 471/4885CLK1 3223/4885
US-20150342935-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 CSNK1D 320/4885CSNK1E 471/4885CLK1 3223/4885
US-20150094309-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 CSNK1D 320/4885CSNK1E 471/4885CLK1 3223/4885

“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.