SCHEMBL22904692

SCHEMBL22904692

Cc1c(-c2ccsc2)cccc1-c1nc2c([nH]1)CNCC2

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 14/20 0.73
PDCD1 Q15116 10/20 0.73
FASN P49327 1/20 0.35
WNT3A P56704 1/20 0.34
TNKS2 Q9H2K2 1/20 0.34
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
PRKDC P78527 1/20 0.33
CYP3A4 P08684 1/20 0.33
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32

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
SCHEMBL19549737 0.80 PDCD1 (1.00) CD274PDCD1
SCHEMBL19549728 0.75 CD274 (0.81) CD274PDCD1CYP3A4ADRA2A
SCHEMBL11515152 0.72 WNT3A (0.46) CD274PDCD1WNT3ATNKS2CYP3A4
SCHEMBL24187984 0.70 PDCD1 (0.60) CD274PDCD1FASNADRA2AADRA2B
SCHEMBL24187953 0.70 PDCD1 (0.62) CD274PDCD1CYP3A4
SCHEMBL24187941 0.70 PDCD1 (0.62) CD274PDCD1FASNCYP3A4
SCHEMBL28646193 0.70 PDCD1 (0.62) CD274PDCD1FASNCYP3A4
SCHEMBL12492799 0.69 PDCD1 (0.68) CD274PDCD1CYP3A4
SCHEMBL13476751 0.66 PDCD1 (0.54) CD274PDCD1FASN
SCHEMBL24188353 0.65 CD274 (0.56) CD274PDCD1ADRA2AADRA2BADRA2C

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-20210017175-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS INCYTE CORPORATION 2021-01-21 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-20210017175-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS CD74, IL2, ICOS CD274 88/4885PDCD1 157/4885FASN 1882/4885

“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.