SCHEMBL1743431

SCHEMBL1743431

O=c1c(-c2ccc(Cl)cc2)c[nH]c2ccnc(NCc3ccccn3)c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNA5 P22460 4/20 0.45
▸ KCNH2 Q12809 3/20 0.45
▸ JAK2 O60674 1/20 0.43
▸ IGF1R P08069 1/20 0.43
▸ PIM1 P11309 1/20 0.43
▸ SRC P12931 1/20 0.43
▸ CSNK2A2 P19784 1/20 0.43
▸ JAK1 P23458 1/20 0.43
▸ CCNE1 P24864 1/20 0.43
▸ CDK2 P24941 1/20 0.43
▸ TYK2 P29597 1/20 0.43
▸ FLT4 P35916 1/20 0.43
▸ FLT3 P36888 1/20 0.43
▸ MAP3K8 P41279 1/20 0.43
▸ CSNK1A1 P48729 1/20 0.43
▸ GSK3B P49841 1/20 0.43
▸ JAK3 P52333 1/20 0.43
▸ PLK1 P53350 1/20 0.43
▸ CSNK2A1 P68400 1/20 0.43
▸ CDK5 Q00535 1/20 0.43

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 0.87 UTS2R (0.47) JAK2PIM1SRCCDK2TYK2
SCHEMBL1742043 0.83 LRRK2 (0.43) JAK2FLT4GSK3BAURKBDYRK1A
SCHEMBL1743562 0.82 MET (0.45) FLT3KDM4EALDH1A1METKDR
SCHEMBL1741953 0.81 UTS2R (0.49) CDK2DYRK1AMAPTNPC1RAB9A
SCHEMBL1742091 0.81 MET (0.44) KCNH2FLT3METKDRAXL
SCHEMBL1741332 0.80 KDM4E (0.48) SRCFLT3KDM4EALDH1A1MET
SCHEMBL2838272 0.79 MET (0.51) FLT4FLT3METKDRAXL
SCHEMBL1742662 0.79 STK4 (0.47) METKDRAXL
SCHEMBL1742647 0.78 MET (0.55) FLT3METKDRAXL
SCHEMBL1741301 0.78 MET (0.45) FLT3METKDRAXLSMN1; SMN2

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 KCNA5 662/4885KCNH2 558/4885JAK2 4794/4885
US-20140194462-A1 Alpha-7 Nicotinic Acetylcholine Receptor Allosteric Modulators, Their Derivatives and Uses Thereof CHRNA7, CHRNA1, CHRNG KCNA5 662/4885KCNH2 558/4885JAK2 4794/4885

“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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