SCHEMBL23169488

SCHEMBL23169488

CCc1ccnc2ncncc12

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.36
CYP2E1 P05181 1/20 0.33
CYP2C8 P10632 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2A6 P11509 1/20 0.33
CYP2B6 P20813 1/20 0.33
CYP2C19 P33261 1/20 0.33
PDE3B Q13370 1/20 0.30
PDE3A Q14432 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
SCHEMBL4397083 0.77 IMPDH2 (0.33)
SCHEMBL10077940 0.75 CCR1 (0.45) PDE5ACYP2D6CYP2C19
SCHEMBL8372588 0.75 GSK3A (0.40)
SCHEMBL24352035 0.74 PDE5A (0.32) PDE5A
SCHEMBL14347700 0.73 RPS6KB1 (0.35)
SCHEMBL9911124 0.72 CYP2E1 (0.40) PDE5ACYP2E1CYP2C8CYP2D6CYP2A6
SCHEMBL21367345 0.71 PDE5A (0.33) PDE5A
SCHEMBL10077017 0.70 RPS6KA3 (0.31)
SCHEMBL10077306 0.70 CYP2C19 (0.33) CYP2E1CYP2C8CYP2D6CYP2A6CYP2B6
SCHEMBL14289229 0.70 DGAT1 (0.33)

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-20210094969-A1 HETEROCYCLIC INHIBITORS OF MONOCARBOXYLATE TRANSPORTERS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2021-04-01 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-20210094969-A1 HETEROCYCLIC INHIBITORS OF MONOCARBOXYLATE TRANSPORTERS SLC16A1, SLC16A3, SLC16A7 PDE5A 4024/4885CYP2E1 1415/4885CYP2C8 1757/4885

“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.