SCHEMBL20164049

SCHEMBL20164049

Cc1nc2c(Br)nn([C@@H](C)COCc3ccccc3)c2c(=O)[nH]1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.43
MAPK1 P28482 1/20 0.43
PDE2A O00408 7/20 0.40
ALDH1A1 P00352 3/20 0.40
ADORA3 P0DMS8 3/20 0.39
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
DAO P14920 1/20 0.33

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
SCHEMBL20164018 1.00 USP2 (0.43) USP2MAPK1PDE2AALDH1A1ADORA3
SCHEMBL20164016 1.00 USP2 (0.43) USP2MAPK1PDE2AALDH1A1ADORA3
SCHEMBL21652122 0.86 USP2 (0.41) USP2MAPK1PDE2AALDH1A1ADORA3
SCHEMBL20175968 0.80 PDE2A (0.37) USP2MAPK1PDE2AALDH1A1ADORA3
SCHEMBL20175962 0.80 PDE2A (0.37) USP2MAPK1PDE2AALDH1A1ADORA3
SCHEMBL18362196 0.80 PDE2A (0.38) PDE2AKMT2AMEN1
SCHEMBL20164023 0.77 PDE2A (0.49) PDE2AKMT2AMEN1
SCHEMBL20164024 0.77 PDE2A (0.49) PDE2AKMT2AMEN1
SCHEMBL20164051 0.77 PDE2A (0.49) PDE2AKMT2AMEN1
SCHEMBL16968244 0.66 ALDH1A1 (0.44) USP2MAPK1ALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3319966-B1 BICYCLIC HETEROCYCLIC COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME (US) 2020-01-29 EP disclosed
US-10287293-B2 Bicyclic heterocyclic compounds as PDE2 inhibitors MERCK SHARP & DOHME CORP. (US) 2019-05-14 US disclosed
US-20180141952-A1 BICYCLIC HETEROCYCLIC COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-05-24 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-10287293-B2 Bicyclic heterocyclic compounds as PDE2 inhibitors PDE2A, PDE12, PDE4D USP2 1400/4885MAPK1 1288/4885PDE2A 1/4885
US-20180141952-A1 BICYCLIC HETEROCYCLIC COMPOUNDS AS PDE2 INHIBITORS PDE2A, PDE12, PDE4D USP2 1400/4885MAPK1 1288/4885PDE2A 1/4885

“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.