SCHEMBL1743429

SCHEMBL1743429

CN(c1ccccn1)c1nccc2[nH]cc(-c3ccc(Cl)cc3)c(=O)c12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.35
▸ MAPT P10636 3/20 0.34
▸ MET P08581 2/20 0.34
▸ KDR P35968 2/20 0.34
▸ CYP2D6 P10635 2/20 0.34
▸ AXL P30530 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CHRM2 P08172 1/20 0.34
▸ ADRA2A P08913 1/20 0.34
▸ CHRM1 P11229 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ DRD1 P21728 1/20 0.34
▸ SLC6A2 P23975 1/20 0.34
▸ SLC6A4 P31645 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ ADRA1A P35348 1/20 0.34
▸ OPRM1 P35372 1/20 0.34
▸ DRD3 P35462 1/20 0.34
▸ SLC6A3 Q01959 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34

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
SCHEMBL1742041 0.83 KDR (0.35) MAPTMETKDRAXLTHRB
SCHEMBL1743421 0.75 LRRK2 (0.41) ALOX5MAPTMETKDRAXL
SCHEMBL1741332 0.73 KDM4E (0.48) METKDRAXLKDM4EALDH1A1
SCHEMBL1743431 0.72 KCNA5 (0.45) MAPTMETKDRAXLKCNH2
SCHEMBL2838272 0.71 MET (0.51) METKDRAXL
SCHEMBL1743591 0.71 MET (0.35) ALOX5MAPTMETKDRAXL
SCHEMBL1743590 0.70 MAPT (0.36) ALOX5MAPTMETKDRAXL
SCHEMBL15084547 0.70 PARP1 (0.42) MAPTMETKDRAXLALDH1A1
SCHEMBL1743562 0.70 MET (0.45) METKDRAXLKDM4EALDH1A1
SCHEMBL1742654 0.70 MET (0.47) METKDRAXLPTK2LRRK2

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 ALOX5 4198/4885MAPT 2116/4885MET 4323/4885
US-20140194462-A1 Alpha-7 Nicotinic Acetylcholine Receptor Allosteric Modulators, Their Derivatives and Uses Thereof CHRNA7, CHRNA1, CHRNG ALOX5 4198/4885MAPT 2116/4885MET 4323/4885

“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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