SCHEMBL23914974

SCHEMBL23914974

O=c1c(CCO)n[nH]c2cc(F)ccc12

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 12/20 0.45
MAPK1 P28482 2/20 0.45
MAPK6 Q16659 2/20 0.45
MAP2K7 O14733 1/20 0.41
DAO P14920 1/20 0.39
ITK Q08881 2/20 0.38
HTR2A P28223 1/20 0.37
MAPKAPK2 P49137 1/20 0.37
MAPKAPK3 Q16644 1/20 0.37
FEN1 P39748 1/20 0.37
GSK3B P49841 1/20 0.36
PLK1 P53350 1/20 0.36

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
SCHEMBL25356682 0.82 PDPK1 (0.49) GSK3B
SCHEMBL27751008 0.78 MPO (0.41) MAP2K4MAPK1MAPK6ITKHTR2A
SCHEMBL23908909 0.78 CYP1A2 (0.53) MAP2K4
SCHEMBL30727481 0.78 CYP1A2 (0.53) MAP2K4
SCHEMBL5953156 0.78 MAP2K4 (0.51) MAP2K4MAPK1MAPK6MAP2K7ITK
SCHEMBL23914767 0.77 MAP2K4 (0.51) MAP2K4MAPK1MAPK6ITKGSK3B
SCHEMBL31010860 0.73 MAP2K4 (0.50) MAP2K4MAPK1MAPK6MAP2K7DAO
SCHEMBL14979221 0.73 MAP2K4 (0.54) MAP2K4MAPK1MAPK6MAP2K7ITK
SCHEMBL7713988 0.72 MAP2K4 (0.49) MAP2K4MAPK1MAPK6MAP2K7ITK
SCHEMBL5677771 0.71 MAP2K4 (0.51) MAP2K4MAPK1MAPK6MAP2K7ITK

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 MAP2K4 4247/4885MAPK1 1776/4885MAPK6 3913/4885

“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.