SCHEMBL23915580

SCHEMBL23915580

COCCOc1cc2nc(Cc3nn(C4CCN(C(=O)OC(C)(C)C)C4)c(=O)c4ccccc34)[nH]c2cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 10/20 0.52
TNF P01375 3/20 0.39
LITAF Q99732 3/20 0.39
ADRA1A P35348 2/20 0.36
HRH1 P35367 2/20 0.36
ADRA1B P35368 2/20 0.36
HRH3 Q9Y5N1 1/20 0.36
PIK3CA P42336 1/20 0.36
PARP1 P09874 1/20 0.36
PARP2 Q9UGN5 1/20 0.36
RHEB Q15382 1/20 0.35
CCNT1 O60563 1/20 0.35
CDK9 P50750 1/20 0.35

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
SCHEMBL23914857 0.90 S1PR2 (0.43) S1PR2TNFLITAFPIK3CA
SCHEMBL23914714 0.90 S1PR2 (0.60) S1PR2TNFLITAFADRA1AHRH1
SCHEMBL23966544 0.86 S1PR2 (0.62) S1PR2ADRA1AHRH1ADRA1BHRH3
SCHEMBL23908937 0.83 S1PR2 (0.55) S1PR2ADRA1AHRH1ADRA1BHRH3
SCHEMBL23915581 0.81 S1PR2 (0.49) S1PR2TNFLITAF
SCHEMBL23914710 0.78 S1PR2 (0.65) S1PR2ADRA1AHRH1ADRA1BPARP1
SCHEMBL23914698 0.78 S1PR2 (0.64) S1PR2
SCHEMBL23915479 0.77 S1PR2 (0.67) S1PR2ADRA1AHRH1ADRA1B
SCHEMBL23914717 0.76 S1PR2 (0.66) S1PR2ADRA1AHRH1ADRA1BHRH3
SCHEMBL23915019 0.74 S1PR2 (0.77) 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 2 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

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 3/4885TNF 1297/4885LITAF 1652/4885

“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.