SCHEMBL22141995

SCHEMBL22141995

CC(C)(C)c1cc2nc(CC(C)(C)c3ccc4scnc4c3)sc2cc1F

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 4/20 0.33
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
TRPV3 Q8NET8 1/20 0.31
RIPK2 O43353 1/20 0.31
NPC1 O15118 1/20 0.31
GAA P10253 1/20 0.31
MAPK1 P28482 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL26315535 0.79 TRPV1 (0.40) TRPV1NPC1RAB9A
SCHEMBL21363462 0.70 NTRK1 (0.36) NPC1RAB9A
SCHEMBL13265535 0.69 ALDH1A1 (0.40) ALOX5APFEN1RIPK2NPC1MAPK1
SCHEMBL761133 0.69 ALDH1A1 (0.45) TRPV1ALOX5APFEN1RIPK2NPC1
SCHEMBL24037602 0.67 ALDH1A1 (0.38) ALOX5APFEN1RIPK2MAPK1
SCHEMBL21497445 0.67 NPC1 (0.38) TRPV1RIPK2NPC1RAB9A
SCHEMBL19262922 0.67 SCN10A (0.38)
SCHEMBL22330400 0.66 SCN10A (0.37)
SCHEMBL25515913 0.66 RAB9A (0.39) TRPV1NPC1GAAMAPK1RAB9A
SCHEMBL24366298 0.65 TRPV1 (0.39) TRPV1NPC1GAAMAPK1RAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11168093-B2 Thienopyridine inhibitors of RIPK2 CELGENE CORPORATION (US) 2021-11-09 US disclosed
US-20200199148-A1 THIENOPYRIDINE INHIBITORS OF RIPK2 CELGENE CORPORATION 2020-06-25 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 (2 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-20200199148-A1 THIENOPYRIDINE INHIBITORS OF RIPK2 RIPK2, RIPK1, RIPK4 TRPV1 575/4885ALOX5AP 2726/4885FEN1 1162/4885
US-11168093-B2 Thienopyridine inhibitors of RIPK2 RIPK2, RIPK1, RIPK4 TRPV1 575/4885ALOX5AP 2726/4885FEN1 1162/4885

“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.