SCHEMBL1741213

SCHEMBL1741213

O=c1c(-c2ccc(Cl)cc2)c[nH]c2ccnc(NC3CCCC3)c12

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 5/20 0.42
▸ KDR P35968 4/20 0.41
▸ MAPK8 P45983 2/20 0.41
▸ MAPK9 P45984 2/20 0.41
▸ MAPK10 P53779 2/20 0.41
▸ LRRK2 Q5S007 5/20 0.40
▸ AXL P30530 1/20 0.40
▸ UTS2R Q9UKP6 1/20 0.39
▸ CDC7 O00311 1/20 0.38
▸ DBF4 Q9UBU7 1/20 0.38
▸ JAK2 O60674 1/20 0.38
▸ ADORA3 P0DMS8 1/20 0.38
▸ ADORA2A P29274 1/20 0.38
▸ ADORA1 P30542 1/20 0.38
▸ CDK7 P50613 1/20 0.37
▸ CDK9 P50750 1/20 0.37
▸ IKBKB O14920 1/20 0.37

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
SCHEMBL1741948 0.95 UTS2R (0.43) METKDRMAPK8MAPK9MAPK10
SCHEMBL1741966 0.84 MAPT (0.45) METKDRLRRK2AXL
SCHEMBL2838684 0.83 UTS2R (0.48) METKDRLRRK2AXLUTS2R
SCHEMBL1741332 0.82 KDM4E (0.48) METKDRLRRK2AXL
SCHEMBL1741954 0.82 MET (0.43) METKDRLRRK2AXL
SCHEMBL1742662 0.81 STK4 (0.47) METKDRLRRK2AXLUTS2R
SCHEMBL1742647 0.80 MET (0.55) METKDRAXL
SCHEMBL1741248 0.80 MET (0.42) METKDRAXL
SCHEMBL1743562 0.78 MET (0.45) METKDRLRRK2AXLUTS2R
SCHEMBL1742654 0.78 MET (0.47) METKDRMAPK8LRRK2AXL

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 14 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
EP-2387575-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR ALLOSTERIC MODULATORS, THEIR DERIVATIVES AND USES THEREOF Anvyl, LLC (US) 2011-11-23 — — EP claimed
US-D647030-S1 Automobile tire tread THE YOKOHAMA RUBBER CO., LTD (JP) 2011-10-18 — — US claimed
US-20100190819-A1 alpha-7 Nicotinic Acetylcholine Receptor Allosteric Modulators, Their Derivatives and Uses Thereof ALPHARMAGEN LLC 2010-07-29 — — US claimed
WO-2010083444-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR ALLOSTERIC MODULATORS, THEIR DERIVATIVES AND USES THEREOF ANVYL, LLC (US) 2010-07-22 — — WO 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 4098/4885MAPK8 1265/4885
US-20140194462-A1 Alpha-7 Nicotinic Acetylcholine Receptor Allosteric Modulators, Their Derivatives and Uses Thereof CHRNA7, CHRNA1, CHRNG MET 4323/4885KDR 4098/4885MAPK8 1265/4885

“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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