SCHEMBL1858951

SCHEMBL1858951

Cc1cncc(-c2cc(N)n[nH]2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.61
ALDH1A1 P00352 2/20 0.47
KMT2A Q03164 2/20 0.47
MITF O75030 1/20 0.47
TP53 P04637 1/20 0.47
DYRK1A Q13627 1/20 0.47
MKNK1 Q9BUB5 1/20 0.47
MKNK2 Q9HBH9 1/20 0.47
MEN1 O00255 1/20 0.47
USP2 O75604 1/20 0.47
NPC1 O15118 1/20 0.45
MAPT P10636 1/20 0.45
RAB9A P51151 1/20 0.45
GFER P55789 1/20 0.45
HSD17B10 Q99714 2/20 0.43
GAA P10253 1/20 0.43
LTA4H P09960 1/20 0.41
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL6585622 0.79 ALDH1A1 (0.61) SMN1; SMN2ALDH1A1KMT2AMITFTP53
SCHEMBL17858734 0.79 TNIK (0.39) SMN1; SMN2ALDH1A1KMT2ATP53MEN1
SCHEMBL17980285 0.77 ALDH1A1 (0.53) SMN1; SMN2ALDH1A1KMT2AMITFTP53
SCHEMBL1662946 0.76 SMN1; SMN2 (1.00) SMN1; SMN2ALDH1A1KMT2AMITFTP53
SCHEMBL28572920 0.75 SMN1; SMN2 (0.66) SMN1; SMN2ALDH1A1KMT2AMITFTP53
SCHEMBL30512092 0.75 SMN1; SMN2 (0.66) SMN1; SMN2ALDH1A1KMT2AMITFTP53
SCHEMBL20575392 0.71 CYP3A4 (0.59) SMN1; SMN2ALDH1A1KMT2AMITFTP53
SCHEMBL14910773 0.71 CYP11B2 (0.42) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL3423606 0.71 CYP2A6 (0.61) PRMT5WDR77CYP2A6TDO2
SCHEMBL18122018 0.70 RAB9A (0.64) ALDH1A1NPC1MAPTRAB9A

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 13 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
CN-101679287-B Nicotinic acetylcholine receptor modulators SIENA BIOTECH SPA 2013-03-27 CN disclosed
US-8163729-B2 Modulators of α7 nicotinic acetylcholine receptors and therapeutic uses thereof WYETH (US) 2012-04-24 US disclosed
EP-2323988-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS Wyeth LLC (US) 2011-05-25 EP disclosed
US-20100130474-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS WYETH (US) 2010-05-27 US disclosed
CN-101679287-A nicotinic acetylcholine receptor modulators SIENA BIOTECH SPA 2010-03-24 CN disclosed
US-20100029606-A1 MODULATORS OF ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTORS AND THERAPEUTIC USES THEREOF WYETH (US) 2010-02-04 US disclosed
WO-2010009290-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS WYETH (US) 2010-01-21 WO disclosed
EP-2118067-A1 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS Siena Biotech S.p.A. (IT) 2009-11-18 EP disclosed
CN-101374810-A Modulators of alpha7 nicotinic acetylcholine receptors and therapeutic uses thereof SIENA BIOTECH SPA (IT) 2009-02-25 CN 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 (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-20100029606-A1 MODULATORS OF ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTORS AND THERAPEUTIC USES THEREOF CHRNA7, CHRNA2, CHRNA6 SMN1; SMN2 2002/4885ALDH1A1 1232/4885KMT2A 2721/4885
US-20100130474-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS CHRNA7, CHRNA6, CHRNA2 SMN1; SMN2 1693/4885ALDH1A1 2163/4885KMT2A 2452/4885

“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.