SCHEMBL23908870

SCHEMBL23908870

COCCOc1cc2nc(Cc3nn(C4CCNC4)c(=O)c4ccccc34)[nH]c2cc1C#N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 9/20 0.44
ABCB1 P08183 2/20 0.38
CHEK1 O14757 1/20 0.33
CHEK2 O96017 1/20 0.33
ADRA1A P35348 4/20 0.33
HRH1 P35367 4/20 0.33
ADRA1B P35368 4/20 0.33
HRH3 Q9Y5N1 2/20 0.33
FGFR4 P22455 1/20 0.32
EGFR P00533 2/20 0.32
ABL1 P00519 1/20 0.32
SRC P12931 1/20 0.32
FLT1 P17948 1/20 0.32
KDR P35968 1/20 0.32
SYK P43405 1/20 0.32
ADRA2A P08913 2/20 0.32
CHRM1 P11229 2/20 0.32
ADRA2B P18089 2/20 0.32
HTR2A P28223 2/20 0.32
DRD3 P35462 2/20 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
SCHEMBL23908937 0.89 S1PR2 (0.55) S1PR2ABCB1ADRA1AHRH1ADRA1B
SCHEMBL23908793 0.88 S1PR2 (0.52) S1PR2ABCB1ADRA1AHRH1ADRA1B
SCHEMBL23914857 0.84 S1PR2 (0.43) S1PR2
SCHEMBL23908822 0.82 S1PR2 (0.54) S1PR2ABCB1ADRA1AHRH1ADRA1B
SCHEMBL23909036 0.79 S1PR2 (0.57) S1PR2ABCB1ADRA1AHRH1ADRA1B
SCHEMBL23908806 0.77 S1PR2 (0.64) S1PR2ABCB1ADRA1AHRH1ADRA1B
SCHEMBL23909045 0.77 S1PR2 (0.51) S1PR2ABCB1ADRA1AHRH1ADRA1B
SCHEMBL23908965 0.76 S1PR2 (0.69) S1PR2SMN1; SMN2
SCHEMBL23915058 0.76 S1PR2 (0.61) S1PR2ABCB1ADRA1AHRH1ADRA1B
SCHEMBL23915477 0.75 S1PR2 (0.52) S1PR2KDR

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 3/4885ABCB1 1545/4885CHEK1 3497/4885

“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.