SCHEMBL23908886

SCHEMBL23908886

C[Si](C)(C)CCOCn1c(Cc2n[nH]c(=O)c3ccccc23)nc2cc(OCC(F)F)c(C#N)cc21

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 6/20 0.36
TNKS O95271 1/20 0.35
PARP6 Q2NL67 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
PARP2 Q9UGN5 1/20 0.35
PARP3 Q9Y6F1 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
PRMT5 O14744 9/20 0.33
WDR77 Q9BQA1 9/20 0.33
AR P10275 1/20 0.33
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
S1PR2 O95136 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
SCHEMBL23915383 0.97 PARP1 (0.35) PARP1TNKSPARP6TNKS2PARP2
SCHEMBL23915393 0.92 PARP1 (0.35) PARP1TNKSPARP6TNKS2PARP2
SCHEMBL23966811 0.90 PARP1 (0.36) PARP1TNKSPARP6TNKS2PARP2
SCHEMBL23909084 0.86 S1PR2 (0.35) NPC1S1PR2
SCHEMBL23966817 0.84 XDH (0.37) PARP1TNKSPARP6TNKS2PARP2
SCHEMBL23915385 0.83 PARP1 (0.35) PARP1TNKSPARP6TNKS2PARP2
SCHEMBL23908906 0.82 S1PR2 (0.35) NPC1S1PR2
SCHEMBL23915441 0.82 S1PR2 (0.35) NPC1S1PR2
SCHEMBL23915599 0.81 S1PR2 (0.36) NPC1S1PR2
SCHEMBL23966523 0.79

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3649119-B1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GALAPAGOS NV (BE) 2021-11-03 EP disclosed
US-20210315893-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GILEAD SCIENCES, INC. 2021-10-14 US disclosed
US-20210315893-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GILEAD SCIENCES, INC. 2021-10-14 US disclosed
CN-110869359-A Novel compounds and pharmaceutical compositions thereof for the treatment of fibrosis 加拉帕戈斯股份有限公司 2020-03-06 CN 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 PARP1 633/4885TNKS 2987/4885PARP6 2237/4885

“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.