SCHEMBL23066174

SCHEMBL23066174

CCc1cccc(-c2ccnnc2)c1C

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CD274 Q9NZQ7 7/20 0.46
▸ PDCD1 Q15116 2/20 0.46
▸ GABRA1 P14867 2/20 0.38
▸ GABRB2 P47870 2/20 0.38
▸ EPHX1 P07099 2/20 0.38
▸ HCRTR1 O43613 1/20 0.37
▸ HCRTR2 O43614 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ WNT3A P56704 3/20 0.34
▸ PTGS2 P35354 1/20 0.33
▸ TRPA1 O75762 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
SCHEMBL22799749 0.80 EPHX1 (0.51) CD274PDCD1EPHX1LMNASMN1; SMN2
SCHEMBL18378750 0.79 TRPA1 (0.39) CD274PDCD1HCRTR1HCRTR2WNT3A
SCHEMBL607544 0.74 CD274 (0.71) CD274PDCD1GABRA1GABRB2EPHX1
SCHEMBL19726596 0.73 CA2 (0.38) CD274PDCD1GABRA1GABRB2HCRTR1
SCHEMBL18367725 0.73 GABRA1 (0.38) CD274PDCD1GABRA1GABRB2HCRTR1
SCHEMBL19589423 0.72 ROCK2 (0.44) CD274PDCD1TRPA1
SCHEMBL24359881 0.71 BRD4 (0.47) CD274PDCD1
SCHEMBL5318296 0.71 TRPA1 (0.41) SMN1; SMN2WNT3ATRPA1
SCHEMBL18367730 0.70 CD274 (0.70) CD274PDCD1EPHX1
SCHEMBL13368903 0.70 PDCD1 (0.50) CD274PDCD1GABRA1GABRB2PTGS2

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-20210061831-A1 COT MODULATORS AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. 2021-03-04 — — 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-20210061831-A1 COT MODULATORS AND METHODS OF USE THEREOF BRDT, THRB, HCCS CD274 2821/4885PDCD1 3404/4885GABRA1 1992/4885

“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.

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