SCHEMBL1742632

SCHEMBL1742632

CCOc1ccc(-c2cn(C)c3ccnc(NCC4CC4)c3c2=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 10/20 0.45
▸ KDR P35968 4/20 0.45
▸ AXL P30530 4/20 0.45
▸ NTRK1 P04629 2/20 0.45
▸ NTRK2 Q16620 2/20 0.45
▸ FLT4 P35916 1/20 0.45
▸ TEK Q02763 1/20 0.45
▸ MST1R Q04912 1/20 0.45
▸ TYRO3 Q06418 1/20 0.45
▸ MERTK Q12866 1/20 0.45
▸ TTK P33981 2/20 0.39
▸ LRRK2 Q5S007 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ GRM1 Q13255 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ BRD4 O60885 1/20 0.35
▸ UTS2R Q9UKP6 1/20 0.35
▸ USP7 Q93009 1/20 0.35
▸ CCNA2 P20248 1/20 0.35
▸ CDK2 P24941 1/20 0.35

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
SCHEMBL1741959 0.95 MET (0.43) METKDRAXLNTRK1NTRK2
SCHEMBL1742629 0.88 MET (0.43) METKDRAXLNTRK1NTRK2
SCHEMBL1742032 0.86 MET (0.44) METKDRAXLNTRK1NTRK2
SCHEMBL1741145 0.86 MAPT (0.46) METKDRAXLNTRK1NTRK2
SCHEMBL2840330 0.84 MAPT (0.49) METKDRAXLNTRK1NTRK2
SCHEMBL1743549 0.84 MAPT (0.47) METKDRAXLNTRK1NTRK2
SCHEMBL1741245 0.82 POLB (0.52) METKDRAXLNTRK1NTRK2
SCHEMBL1742664 0.81 MAPT (0.53) METKDRAXLNTRK1NTRK2
SCHEMBL1742630 0.80 MET (0.47) METKDRAXLNTRK1NTRK2
SCHEMBL1741986 0.79 MET (0.43) METKDRAXLLRRK2UTS2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8563579-B2 α-7 nicotinic acetylcholine receptor allosteric modulators, their derivatives and uses thereof ANVYL LLC (US) 2013-10-22 — — US claimed
EP-2387575-B1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR ALLOSTERIC MODULATORS, THEIR DERIVATIVES AND USES THEREOF ANVYL LLC (US) 2013-09-04 — — EP claimed
US-20100190819-A1 alpha-7 Nicotinic Acetylcholine Receptor Allosteric Modulators, Their Derivatives and Uses Thereof ALPHARMAGEN LLC 2010-07-29 — — US claimed
US-8975407-B2 α7 nicotinic acetylcholine receptor allosteric modulators, their derivatives and uses thereof ANVYL LLC (US) 2015-03-10 — — US disclosed
US-20140194462-A1 Alpha-7 Nicotinic Acetylcholine Receptor Allosteric Modulators, Their Derivatives and Uses Thereof ANVYL LLC (US) 2014-07-10 — — US disclosed
US-8563579-B2 α-7 nicotinic acetylcholine receptor allosteric modulators, their derivatives and uses thereof ANVYL LLC (US) 2013-10-22 — — US disclosed
EP-2387575-B1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR ALLOSTERIC MODULATORS, THEIR DERIVATIVES AND USES THEREOF ANVYL LLC (US) 2013-09-04 — — EP disclosed
EP-2387575-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR ALLOSTERIC MODULATORS, THEIR DERIVATIVES AND USES THEREOF Anvyl, LLC (US) 2011-11-23 — — EP disclosed
US-D647030-S1 Automobile tire tread THE YOKOHAMA RUBBER CO., LTD (JP) 2011-10-18 — — US disclosed
US-20100190819-A1 alpha-7 Nicotinic Acetylcholine Receptor Allosteric Modulators, Their Derivatives and Uses Thereof ALPHARMAGEN LLC 2010-07-29 — — US disclosed
WO-2010083444-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR ALLOSTERIC MODULATORS, THEIR DERIVATIVES AND USES THEREOF ANVYL, LLC (US) 2010-07-22 — — 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 (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-20100190819-A1 alpha-7 Nicotinic Acetylcholine Receptor Allosteric Modulators, Their Derivatives and Uses Thereof CHRNA7, CHRNA1, CHRNG MET 4323/4885KDR 4098/4885AXL 2144/4885
US-20140194462-A1 Alpha-7 Nicotinic Acetylcholine Receptor Allosteric Modulators, Their Derivatives and Uses Thereof CHRNA7, CHRNA1, CHRNG MET 4323/4885KDR 4098/4885AXL 2144/4885

“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.

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