SCHEMBL23914867

SCHEMBL23914867

N#Cc1cc2nc(Cc3nn(C4CNC4)c(=O)c4ccccc34)cn2cc1OCC1CC1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 16/20 0.56
KCNH2 Q12809 1/20 0.37
ABCB1 P08183 1/20 0.36
XDH P47989 1/20 0.34
ADRA1A P35348 1/20 0.34
HRH1 P35367 1/20 0.34
ADRA1B P35368 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34

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
SCHEMBL23908789 0.86 S1PR2 (0.63) S1PR2KCNH2XDHADRA1AHRH1
SCHEMBL23914633 0.85 S1PR2 (0.54) S1PR2KCNH2
SCHEMBL23915627 0.83 S1PR2 (0.68) S1PR2KCNH2ABCB1ADRA1AHRH1
SCHEMBL23915364 0.83 S1PR2 (0.52) S1PR2XDH
SCHEMBL23908850 0.83 S1PR2 (0.79) S1PR2KCNH2
SCHEMBL23908891 0.81 S1PR2 (0.60) S1PR2KCNH2XDH
SCHEMBL23915607 0.79 S1PR2 (0.56) S1PR2KCNH2XDH
SCHEMBL23915608 0.79 S1PR2 (0.66) S1PR2
SCHEMBL23909036 0.73 S1PR2 (0.57) S1PR2KCNH2ABCB1XDHADRA1A
SCHEMBL23915298 0.72 S1PR2 (0.41) S1PR2XDH

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 3/4885KCNH2 1865/4885ABCB1 1545/4885

“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.