SCHEMBL23909009

SCHEMBL23909009

COC1CCN(C(=O)Cn2nc(Cc3nc4cc(C#N)c(OCC(F)F)cc4[nH]3)c3ccccc3c2=O)C1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 10/20 0.57
PARP1 P09874 1/20 0.36
KDM4E B2RXH2 1/20 0.35
HSD17B10 Q99714 1/20 0.35
POLB P06746 1/20 0.34
GRIN2B Q13224 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TBK1 Q9UHD2 2/20 0.33
KDM1A O60341 1/20 0.33
TP53 P04637 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
SCHEMBL23908871 0.91 S1PR2 (0.60) S1PR2KDM4EHSD17B10POLBNPSR1
SCHEMBL23908787 0.90 S1PR2 (0.58) S1PR2KDM4EHSD17B10POLBNPSR1
SCHEMBL23909046 0.90 S1PR2 (0.61) S1PR2KDM4EHSD17B10POLBNPSR1
SCHEMBL23966642 0.89 S1PR2 (0.63) S1PR2KDM4EHSD17B10POLBTP53
SCHEMBL23908852 0.88 S1PR2 (0.57) S1PR2KDM4EHSD17B10POLBNPSR1
SCHEMBL23908736 0.87 S1PR2 (0.61) S1PR2KDM4EHSD17B10POLBNPSR1
SCHEMBL23908890 0.87 S1PR2 (0.66) S1PR2KDM4EHSD17B10POLBNPSR1
SCHEMBL23908809 0.87 S1PR2 (0.59) S1PR2KDM4EHSD17B10POLBKDM1A
SCHEMBL23908781 0.87 S1PR2 (0.60) S1PR2KDM4EHSD17B10POLBTP53
SCHEMBL23908861 0.86 S1PR2 (0.76) S1PR2

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 8 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 claimed
US-20210315893-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GILEAD SCIENCES, INC. 2021-10-14 US claimed
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 claimed
EP-3649119-B1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GALAPAGOS NV (BE) 2021-11-03 EP disclosed
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 S1PR2 3/4885PARP1 633/4885KDM4E 3835/4885

“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.