SCHEMBL2204306

SCHEMBL2204306

COc1cccc2ncc(C#N)cc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 2/20 0.60
EGFR P00533 4/20 0.46
ERBB2 P04626 2/20 0.46
GAK O14976 2/20 0.45
ABCG2 Q9UNQ0 1/20 0.45
RIPK2 O43353 1/20 0.45
COQ8A Q8NI60 1/20 0.45
NLK Q9UBE8 1/20 0.45
MET P08581 1/20 0.44
ALPL P05186 1/20 0.44
SRC P12931 2/20 0.43
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP2C19 P33261 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
SCHEMBL4963301 0.79 RAF1 (0.44) HPGDSABCG2METALDH1A1LMNA
SCHEMBL12426330 0.79 HPGDS (0.65) HPGDSEGFRGAKABCG2RIPK2
SCHEMBL2201806 0.78 HPGDS (0.57) HPGDSEGFRERBB2GAKABCG2
SCHEMBL24010750 0.78 GAK (0.64) EGFRGAKABCG2RIPK2COQ8A
SCHEMBL5221215 0.77 PDE10A (0.48) ALDH1A1LMNACYP1A2PDPK1PDE10A
SCHEMBL27947745 0.77 MTNR1B (0.50) ALDH1A1CYP1A2CYP3A4MAPK1CYP2C19
SCHEMBL2204145 0.76 EGFR (0.47) EGFRERBB2GAKRIPK2COQ8A
SCHEMBL2203334 0.76 PDPK1 (0.45) GAKRIPK2COQ8ANLKALDH1A1
SCHEMBL11164941 0.76 HTT (0.47) HPGDSEGFRERBB2ABCG2ALDH1A1
SCHEMBL2815588 0.76 PDPK1 (0.45) EGFRERBB2ALDH1A1HSD17B10PDPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230295114-A1 AKT3 MODULATORS Georgiamune Inc. 2023-09-21 US disclosed
EP-1868998-B1 NEW HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS, IN PARTICULAR AS ANTI-ALZHEIMER AGENTS VFP THERAPIES (FR) 2016-05-25 EP disclosed
EP-1868998-B1 NEW HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS, IN PARTICULAR AS ANTI-ALZHEIMER AGENTS VFP THERAPIES (FR) 2016-05-25 EP disclosed
US-7977354-B2 Heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-alzheimer agents INSA ROUEN (FR) 2011-07-12 US disclosed
US-7977354-B2 Heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-alzheimer agents INSA ROUEN (FR) 2011-07-12 US disclosed
US-7977354-B2 Heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-alzheimer agents INSA ROUEN (FR) 2011-07-12 US disclosed
US-20090062279-A1 HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS, IN PARTICULAR AS ANTI-ALZHEIMER AGENTS INSA ROUEN (FR) 2009-03-05 US disclosed
US-20090062279-A1 HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS, IN PARTICULAR AS ANTI-ALZHEIMER AGENTS INSA ROUEN (FR) 2009-03-05 US disclosed
US-20090062279-A1 HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS, IN PARTICULAR AS ANTI-ALZHEIMER AGENTS INSA ROUEN (FR) 2009-03-05 US disclosed
EP-1868998-A2 NEW HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS, IN PARTICULAR AS ANTI-ALZHEIMER AGENTS Insa Rouen (FR) 2007-12-26 EP disclosed
EP-1731507-A1 New heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-alzheimer agents Institut National des Sciences Appliquees de Rouen (INSA) (FR) 2006-12-13 EP disclosed
WO-2006103120-A2 NEW HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS, IN PARTICULAR AS ANTI-ALZHEIMER AGENTS INSA ROUEN (FR) 2006-10-05 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-20230295114-A1 AKT3 MODULATORS AKT3, AKT2, MTOR HPGDS 861/4885EGFR 1297/4885ERBB2 556/4885
US-20090062279-A1 HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS, IN PARTICULAR AS ANTI-ALZHEIMER AGENTS NLN, SNCA, APP HPGDS 279/4885EGFR 3661/4885ERBB2 3048/4885

“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.