SCHEMBL23914722

SCHEMBL23914722

C[Si](C)(C)CCOCn1c(Cc2nn(CC3CCCN3)c(=O)c3ccccc23)nc2cc(OCC(F)F)c(C#N)cc21

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 4/20 0.36
HRH1 P35367 8/20 0.32
PIK3CD O00329 2/20 0.32
PIK3R2 O00459 2/20 0.32
ADRA1A P35348 7/20 0.31
ADRA1B P35368 5/20 0.31
HRH3 Q9Y5N1 5/20 0.31
NPC1 O15118 1/20 0.31
CNR2 P34972 2/20 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
SCHEMBL23914724 0.93 S1PR2 (0.36) S1PR2HRH1PIK3CDPIK3R2ADRA1A
SCHEMBL23913182 0.85 S1PR2 (0.41) S1PR2HRH1ADRA1AADRA1BHRH3
SCHEMBL23909084 0.85 S1PR2 (0.35) S1PR2NPC1
SCHEMBL23915441 0.85 S1PR2 (0.35) S1PR2NPC1
SCHEMBL23908919 0.84 S1PR2 (0.35) S1PR2HRH1ADRA1AADRA1BHRH3
SCHEMBL23914612 0.83 HRH1 (0.36) S1PR2HRH1ADRA1AADRA1BHRH3
SCHEMBL23915620 0.83 S1PR2 (0.41) S1PR2NPC1
SCHEMBL23915604 0.82 ADRA1A (0.37) S1PR2HRH1ADRA1AADRA1BHRH3
SCHEMBL23908886 0.81 PARP1 (0.36) S1PR2NPC1
SCHEMBL23908802 0.80 S1PR2 (0.56) S1PR2HRH1PIK3CDPIK3R2ADRA1A

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-20210315893-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GILEAD SCIENCES, INC. 2021-10-14 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-20210315893-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS S1PR1, S1PR3, S1PR2 S1PR2 3/4885HRH1 385/4885PIK3CD 1311/4885

“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.