SCHEMBL23908787

SCHEMBL23908787

CN(C)C1CCN(C(=O)Cn2nc(Cc3nc4cc(OCC(F)F)c(C#N)cc4[nH]3)c3ccccc3c2=O)C1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 10/20 0.58
KDM4E B2RXH2 1/20 0.34
HSD17B10 Q99714 1/20 0.34
EGLN1 Q9GZT9 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
POLB P06746 1/20 0.33
TBK1 Q9UHD2 1/20 0.33
KDM1A O60341 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL23909046 0.91 S1PR2 (0.61) S1PR2KDM4EHSD17B10NPSR1POLB
SCHEMBL23908894 0.90 S1PR2 (0.58) S1PR2KDM4EHSD17B10NPSR1MEN1
SCHEMBL23909009 0.90 S1PR2 (0.57) S1PR2KDM4EHSD17B10NPSR1POLB
SCHEMBL23908852 0.89 S1PR2 (0.57) S1PR2KDM4EHSD17B10NPSR1POLB
SCHEMBL23908736 0.89 S1PR2 (0.61) S1PR2KDM4EHSD17B10NPSR1POLB
SCHEMBL23908809 0.89 S1PR2 (0.59) S1PR2KDM4EHSD17B10POLBKDM1A
SCHEMBL23908878 0.88 S1PR2 (0.64) S1PR2KDM4EHSD17B10POLB
SCHEMBL23966605 0.88 S1PR2 (0.55) S1PR2KDM4EHSD17B10NPSR1POLB
SCHEMBL23908730 0.87 S1PR2 (0.61) S1PR2KDM4EHSD17B10POLBMEN1
SCHEMBL23966606 0.87 S1PR2 (0.61) S1PR2KDM4EHSD17B10POLBMEN1

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 6 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
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

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 3/4885KDM4E 3835/4885HSD17B10 2447/4885

“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.