SCHEMBL2089082

SCHEMBL2089082

COc1ccc2cc(-c3cc(N)n[nH]3)ccc2c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.77
NPC1 O15118 3/20 0.59
RAB9A P51151 3/20 0.59
SMN1; SMN2 Q16637 1/20 0.54
LTA4H P09960 1/20 0.54
MAPT P10636 2/20 0.51
MAPK1 P28482 1/20 0.51
ALDH1A1 P00352 2/20 0.50
KMT2A Q03164 2/20 0.50
MITF O75030 1/20 0.50
TP53 P04637 1/20 0.50
MKNK1 Q9BUB5 1/20 0.50
MKNK2 Q9HBH9 1/20 0.50
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
USP2 O75604 1/20 0.50
NCF1 P14598 1/20 0.49
HSD17B1 P14061 1/20 0.49
HSD17B2 P37059 1/20 0.49
CYP1A2 P05177 2/20 0.48

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
SCHEMBL1143140 0.87 DYRK1A (1.00) DYRK1ANPC1RAB9ASMN1; SMN2LTA4H
Hydrochloric Acid SCHEMBL3260970 0.85 DYRK1A (0.97) DYRK1ANPC1RAB9ASMN1; SMN2LTA4H
SCHEMBL17397952 0.83 DYRK1A (0.69) DYRK1ASMN1; SMN2LTA4HALDH1A1KMT2A
SCHEMBL6992649 0.80 ALDH1A1 (0.56) DYRK1ANPC1RAB9ASMN1; SMN2LTA4H
SCHEMBL6588583 0.78 DYRK1A (0.66) DYRK1ANPC1RAB9ASMN1; SMN2LTA4H
SCHEMBL13619219 0.76 RAB9A (0.60) DYRK1ANPC1RAB9ASMN1; SMN2MAPT
SCHEMBL14910131 0.75 NPC1 (0.51) DYRK1ANPC1RAB9ASMN1; SMN2MAPT
SCHEMBL16563851 0.75 HSD17B10 (0.68) DYRK1ANPC1RAB9ASMN1; SMN2LTA4H
SCHEMBL2304105 0.74 NPC1 (1.00) NPC1RAB9ALTA4HHSD17B1HSD17B2
SCHEMBL6962038 0.74 DYRK1A (0.71) DYRK1ANPC1RAB9ASMN1; SMN2LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-1991528-A2 MODULATORS OF ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTORS AND THERAPEUTIC USES THEREOF Siena Biotech S.p.A. (IT) 2008-11-19 EP 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 DYRK1A 3303/4885NPC1 1459/4885RAB9A 1741/4885
US-20100130474-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS CHRNA7, CHRNA6, CHRNA2 DYRK1A 2425/4885NPC1 983/4885RAB9A 1275/4885

“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.