SCHEMBL1742043

SCHEMBL1742043

O=c1c(-c2ccc(Cl)cc2)c[nH]c2ccnc(NCc3ccncc3)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 1/20 0.43
▸ KDR P35968 12/20 0.42
▸ MET P08581 7/20 0.41
▸ AXL P30530 1/20 0.41
▸ CHEK1 O14757 1/20 0.40
▸ MAP4K4 O95819 1/20 0.40
▸ CHEK2 O96017 1/20 0.40
▸ PRKCG P05129 1/20 0.40
▸ PRKACA P17612 1/20 0.40
▸ RPS6KB1 P23443 1/20 0.40
▸ AKT1 P31749 1/20 0.40
▸ FLT4 P35916 1/20 0.40
▸ GSK3A P49840 1/20 0.40
▸ GSK3B P49841 1/20 0.40
▸ RPS6KA3 P51812 1/20 0.40
▸ NEK4 P51957 1/20 0.40
▸ CSNK1G2 P78368 1/20 0.40
▸ PRKCD Q05655 1/20 0.40
▸ PRKAA1 Q13131 1/20 0.40
▸ PRKG2 Q13237 1/20 0.40

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
SCHEMBL1741949 0.91 UTS2R (0.47) LRRK2KDRMETAXLCHEK1
SCHEMBL1743562 0.84 MET (0.45) LRRK2KDRMETAXLUTS2R
SCHEMBL1743431 0.83 KCNA5 (0.45) KDRMETAXLFLT4GSK3B
SCHEMBL1742091 0.82 MET (0.44) KDRMETAXLUTS2R
SCHEMBL1741332 0.81 KDM4E (0.48) LRRK2KDRMETAXL
SCHEMBL1741953 0.81 UTS2R (0.49) KDRMETAXLDYRK1AUTS2R
SCHEMBL1742662 0.80 STK4 (0.47) LRRK2KDRMETAXLUTS2R
SCHEMBL1742647 0.79 MET (0.55) KDRMETAXL
SCHEMBL2838684 0.78 UTS2R (0.48) LRRK2KDRMETAXLMAP4K4
SCHEMBL1742654 0.77 MET (0.47) LRRK2KDRMETAXLMAP4K4

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 LRRK2 2344/4885KDR 4098/4885MET 4323/4885
US-20140194462-A1 Alpha-7 Nicotinic Acetylcholine Receptor Allosteric Modulators, Their Derivatives and Uses Thereof CHRNA7, CHRNA1, CHRNG LRRK2 2344/4885KDR 4098/4885MET 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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