SCHEMBL1742662

SCHEMBL1742662

O=c1c(-c2ccc(Cl)cc2)c[nH]c2ccnc(NCC3CC3)c12

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ STK4 Q13043 1/20 0.47
▸ STK3 Q13188 1/20 0.47
▸ UTS2R Q9UKP6 3/20 0.46
▸ MET P08581 13/20 0.43
▸ KDR P35968 9/20 0.43
▸ AXL P30530 2/20 0.43
▸ LRRK2 Q5S007 1/20 0.41
▸ TP53 P04637 1/20 0.37
▸ MCHR1 Q99705 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
SCHEMBL2838684 0.95 UTS2R (0.48) STK4STK3UTS2RMETKDR
SCHEMBL1741986 0.85 MET (0.43) UTS2RMETKDRAXLLRRK2
SCHEMBL1743562 0.84 MET (0.45) UTS2RMETKDRAXLLRRK2
SCHEMBL1741948 0.83 UTS2R (0.43) UTS2RMETKDRAXLLRRK2
SCHEMBL1742091 0.82 MET (0.44) UTS2RMETKDRAXL
SCHEMBL1741213 0.81 MET (0.42) UTS2RMETKDRAXLLRRK2
SCHEMBL1741332 0.81 KDM4E (0.48) METKDRAXLLRRK2
SCHEMBL1741316 0.81 UTS2R (0.45) UTS2RMETKDRAXL
SCHEMBL1742043 0.80 LRRK2 (0.43) UTS2RMETKDRAXLLRRK2
SCHEMBL1741949 0.80 UTS2R (0.47) UTS2RMETKDRAXLLRRK2

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 STK4 2982/4885STK3 3351/4885UTS2R 613/4885
US-20140194462-A1 Alpha-7 Nicotinic Acetylcholine Receptor Allosteric Modulators, Their Derivatives and Uses Thereof CHRNA7, CHRNA1, CHRNG STK4 2982/4885STK3 3351/4885UTS2R 613/4885

“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.

Send feedback