SCHEMBL29316080

SCHEMBL29316080

CCc1cnn(-c2ccc3[nH]cc(C#N)c3c2)c1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 9/20 0.40
CCNT1 O60563 1/20 0.39
CDK9 P50750 1/20 0.39
HASPIN Q8TF76 1/20 0.39
IMPDH2 P12268 1/20 0.38
IMPDH1 P20839 1/20 0.38
SLC6A2 P23975 3/20 0.36
SLC6A3 Q01959 2/20 0.36

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
SCHEMBL1646345 0.81 SCN9A (0.45)
SCHEMBL29316090 0.79 GABRP (0.44) CCNT1CDK9HASPINIMPDH2
SCHEMBL29316086 0.76 CCNT1 (0.42) SLC6A4CCNT1CDK9HASPINSLC6A2
SCHEMBL29316102 0.75 GABRP (0.40) SLC6A4SLC6A2SLC6A3
SCHEMBL29316076 0.74 XDH (0.43)
SCHEMBL1647154 0.72 GABRA1 (0.43)
SCHEMBL1646095 0.69 ALDH1A1 (0.44)
SCHEMBL11924851 0.68 IMPDH2 (0.52) SLC6A4CCNT1CDK9HASPINIMPDH2
SCHEMBL24214822 0.68 GRM4 (0.42)
SCHEMBL24214375 0.67 PTGS2 (0.38)

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-20240239768-A1 METHOD FOR PREPARING XANTHINE OXIDASE INHIBITOR LG CHEM, LTD. (KR) 2024-07-18 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-20240239768-A1 METHOD FOR PREPARING XANTHINE OXIDASE INHIBITOR XDH, AOX1, PNPO SLC6A4 1663/4885CCNT1 1748/4885CDK9 1673/4885

“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.