SCHEMBL20175964

SCHEMBL20175964

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

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 3/20 0.46
ADORA3 P0DMS8 1/20 0.40
KDM4E B2RXH2 1/20 0.35
CYP1A2 P05177 1/20 0.35
PARP1 P09874 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL18362236 0.87 PDE2A (0.63) PDE2A
SCHEMBL20175957 0.82 PDE2A (0.50) PDE2A
SCHEMBL20175953 0.79 ALDH1A1 (0.37) PDE2AADORA3CYP2C9CYP2C19
SCHEMBL20175962 0.75 PDE2A (0.37) PDE2AADORA3KDM4ECYP2C9CYP2C19
SCHEMBL20175952 0.74 PDE2A (0.76) PDE2AADORA3KDM4ECYP1A2PARP1
SCHEMBL20175960 0.71 PDE2A (0.77) PDE2A
SCHEMBL18362216 0.71 PDE2A (0.51) PDE2AKDM4E
SCHEMBL11803855 0.70
SCHEMBL20164033 0.69 PDE2A (0.49) PDE2A
SCHEMBL18362237 0.68 PDE2A (0.46) PDE2APARP1

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 PDE2A 1/4885ADORA3 1453/4885KDM4E 3056/4885

“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.