SCHEMBL23915607

SCHEMBL23915607

CCOC(=O)C(C)n1nc(Cc2cn3cc(OCC4CC4)c(C#N)cc3n2)c2ccccc2c1=O

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 15/20 0.56
KCNH2 Q12809 1/20 0.47
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
XDH P47989 1/20 0.34
POLB P06746 1/20 0.34
CMA1 P23946 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
SCHEMBL23908891 0.92 S1PR2 (0.60) S1PR2KCNH2KDM4EXDHPOLB
SCHEMBL23914634 0.90 S1PR2 (0.70) S1PR2KCNH2MAPTL3MBTL1KDM4E
SCHEMBL23915608 0.87 S1PR2 (0.66) S1PR2L3MBTL1
SCHEMBL23908850 0.83 S1PR2 (0.79) S1PR2KCNH2TSHRCMA1
SCHEMBL23913673 0.82 S1PR2 (0.59) S1PR2KCNH2MAPTL3MBTL1
SCHEMBL23908753 0.81 S1PR2 (0.76) S1PR2KCNH2KDM4EPOLBCMA1
SCHEMBL23914867 0.79 S1PR2 (0.56) S1PR2KCNH2XDH
SCHEMBL23908789 0.79 S1PR2 (0.63) S1PR2KCNH2TSHRXDH
SCHEMBL23914633 0.79 S1PR2 (0.54) S1PR2KCNH2
SCHEMBL23915364 0.77 S1PR2 (0.52) S1PR2LMNATSHRXDH

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 1865/4885MAPT 4876/4885

“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.