SCHEMBL437172

SCHEMBL437172

Cc1cn2cc(Cl)cnc2n1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.50
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
KDM4E B2RXH2 4/20 0.35
ALDH1A1 P00352 3/20 0.34
HPGD P15428 2/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GRM5 P41594 6/20 0.33
RAB9A P51151 2/20 0.30
MAPT P10636 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
GLA P06280 1/20 0.30
GAA P10253 1/20 0.30
PIK3CA P42336 1/20 0.30

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
SCHEMBL12066721 0.79 PIK3CA (0.33) APPKDM4EALDH1A1HPGDHSD17B10
SCHEMBL13391908 0.76 GRM5 (0.33) APPADORA2AKDM4EALDH1A1HPGD
SCHEMBL2965488 0.76 KDM4E (0.50) APPKDM4EALDH1A1HPGDHSD17B10
SCHEMBL12443266 0.76 GRM5 (0.33) APPKDM4EGRM5RAB9AMAPT
SCHEMBL12443626 0.76 GRM5 (0.39) GRM5
SCHEMBL24408382 0.76 APP (0.47) APPADORA2AADORA1GRM5
Hydrochloric Acid SCHEMBL31600802 0.74 GRM5 (0.33) ADORA2AALDH1A1HPGDHSD17B10GRM5
SCHEMBL2536926 0.74 APP (0.72) APPKDM4EALDH1A1HPGDHSD17B10
SCHEMBL19736813 0.73 NPC1 (0.34) KDM4EALDH1A1HPGDGRM5RAB9A
SCHEMBL19678266 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210188839-A1 COMPOUNDS AND THEIR METHODS OF USE PRAXIS PRECISION MEDICINES, INC. 2021-06-24 US disclosed
US-20210188839-A1 COMPOUNDS AND THEIR METHODS OF USE PRAXIS PRECISION MEDICINES, INC. 2021-06-24 US disclosed
WO-2021126729-A1 PRMT5 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2021-06-24 WO disclosed
WO-2018098500-A1 COMPOUNDS AND THEIR METHODS OF USE PRAXIS PRECISION MEDICINES, INC. (US) 2018-05-31 WO disclosed
WO-2018098500-A1 COMPOUNDS AND THEIR METHODS OF USE PRAXIS PRECISION MEDICINES, INC. (US) 2018-05-31 WO disclosed
US-9206173-B2 Heterocyclic compounds for the treatment of stress-related conditions OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-12-08 US disclosed
US-9206173-B2 Heterocyclic compounds for the treatment of stress-related conditions OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-12-08 US disclosed
US-20120065189-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-03-15 US disclosed
US-20120065189-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-03-15 US 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-20120065189-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS NR3C1, NR3C2, CRH APP 3131/4885ADORA2A 1612/4885ADORA1 1560/4885
US-20210188839-A1 COMPOUNDS AND THEIR METHODS OF USE SCN1A, SCN3A, SCN1B APP 792/4885ADORA2A 2242/4885ADORA1 3115/4885

“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.