SCHEMBL20175953

SCHEMBL20175953

C=C(c1ccc(C)cc1)c1nn(CCOCc2ccccc2)c2c(=O)[nH]c(C)nc12

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
PDE2A O00408 10/20 0.36
PKM P14618 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 2/20 0.35
ADORA3 P0DMS8 1/20 0.35
GAA P10253 1/20 0.34
USP2 O75604 1/20 0.34
MAPK1 P28482 1/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL20164033 0.91 PDE2A (0.49) PDE2AKMT2AMEN1
SCHEMBL20175968 0.82 PDE2A (0.37) ALDH1A1PDE2APKMCYP3A4CYP2C9
SCHEMBL20175962 0.82 PDE2A (0.37) ALDH1A1PDE2APKMCYP3A4CYP2C9
SCHEMBL20164026 0.80 ADORA3 (0.43) ALDH1A1PDE2AKMT2AADORA3USP2
SCHEMBL20175964 0.79 PDE2A (0.46) PDE2ACYP2C9CYP2C19ADORA3
SCHEMBL20175957 0.78 PDE2A (0.50) PDE2A
SCHEMBL18362216 0.76 PDE2A (0.51) ALDH1A1PDE2A
SCHEMBL20164051 0.74 PDE2A (0.49) PDE2AKMT2AMEN1
SCHEMBL20164024 0.74 PDE2A (0.49) PDE2AKMT2AMEN1
SCHEMBL20175952 0.63 PDE2A (0.76) ALDH1A1PDE2ACYP2C9CYP2C19KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-20180141952-A1 BICYCLIC HETEROCYCLIC COMPOUNDS AS PDE2 INHIBITORS PDE2A, PDE12, PDE4D ALDH1A1 762/4885PDE2A 1/4885PKM 439/4885

“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.