SCHEMBL2089484

SCHEMBL2089484

COc1ccc(-c2n[nH]c(N)c2C)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
MAPT P10636 3/20 0.50
KDM4E B2RXH2 1/20 0.50
DYRK1A Q13627 1/20 0.50
ACHE P22303 2/20 0.48
GAA P10253 3/20 0.47
ALDH1A1 P00352 2/20 0.47
CCNE2 O96020 2/20 0.46
CDK4 P11802 2/20 0.46
CCND1 P24385 2/20 0.46
CCNE1 P24864 2/20 0.46
CDK2 P24941 2/20 0.46
RAB9A P51151 2/20 0.45
GFER P55789 1/20 0.45
MAPK1 P28482 2/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL5201367 0.84 KMT2A (0.54) KMT2AMEN1MAPTKDM4EDYRK1A
SCHEMBL20672458 0.82 BTK (0.47) RAB9ANPC1
SCHEMBL20074712 0.81 NOTUM (0.44) MAPTKDM4EGAAMAPK1
SCHEMBL8124145 0.80 ADORA1 (0.65) KMT2AMEN1MAPTKDM4EDYRK1A
SCHEMBL1143552 0.79 IKBKB (0.50) KMT2AMEN1MAPTGAAMAPK1
SCHEMBL20075104 0.79 ALDH1A1 (0.45) KMT2AMEN1MAPTKDM4EDYRK1A
SCHEMBL4005629 0.78 ALDH1A1 (0.53) KMT2AMEN1MAPTKDM4EDYRK1A
SCHEMBL19926114 0.78 CDK4 (0.53) KMT2AMEN1MAPTKDM4EDYRK1A
SCHEMBL5199692 0.78 MAPT (0.51) KMT2AMEN1MAPTKDM4EDYRK1A
SCHEMBL24867312 0.77 LRRK2 (0.41) MAPTCDK4CCND1CCNE1CDK2

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2118067-B1 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS SIENA BIOTECH SPA (IT) 2013-05-08 EP disclosed
US-8163729-B2 Modulators of α7 nicotinic acetylcholine receptors and therapeutic uses thereof WYETH (US) 2012-04-24 US disclosed
US-20100130474-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS WYETH (US) 2010-05-27 US disclosed
US-20100029606-A1 MODULATORS OF ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTORS AND THERAPEUTIC USES THEREOF WYETH (US) 2010-02-04 US disclosed
EP-2118067-A1 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS Siena Biotech S.p.A. (IT) 2009-11-18 EP disclosed
US-20090264648-A1 SYNTHESIS OF PYRAZOLES WYETH (US) 2009-10-22 US disclosed
WO-2009091832-A1 SYNTHESIS OF PYRAZOLES WYETH (US) 2009-07-23 WO disclosed
EP-1991528-A2 MODULATORS OF ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTORS AND THERAPEUTIC USES THEREOF Siena Biotech S.p.A. (IT) 2008-11-19 EP disclosed
WO-2008087529-A1 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS SIENA BIOTECH S.P.A. (IT) 2008-07-24 WO disclosed
WO-2007098826-A2 MODULATORS OF ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTORS AND THERAPEUTIC USES THEREOF SIENA BIOTECH S.P.A. (IT) 2007-09-07 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 (3 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-20100029606-A1 MODULATORS OF ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTORS AND THERAPEUTIC USES THEREOF CHRNA7, CHRNA2, CHRNA6 KMT2A 2721/4885MEN1 4060/4885MAPT 933/4885
US-20100130474-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS CHRNA7, CHRNA6, CHRNA2 KMT2A 2452/4885MEN1 4364/4885MAPT 501/4885
US-20090264648-A1 SYNTHESIS OF PYRAZOLES CHRNA7, CHRNA5, CHRNA3 KMT2A 2017/4885MEN1 4254/4885MAPT 404/4885

“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.