SCHEMBL23914767

SCHEMBL23914767

COC(=O)Cc1n[nH]c2cc(F)ccc2c1=O

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 9/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.43
MAPK6 Q16659 1/20 0.43
GSK3B P49841 2/20 0.43
CYP1A2 P05177 1/20 0.40
ALPL P05186 1/20 0.39
PARP1 P09874 1/20 0.38
ITK Q08881 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL23909017 0.81 SMN1; SMN2 (0.66) SMN1; SMN2MAPTCYP1A2
SCHEMBL14979217 0.78 SMN1; SMN2 (0.55) MAP2K4SMN1; SMN2MAPK1MAPK6GSK3B
SCHEMBL23914974 0.77 MAP2K4 (0.45) MAP2K4MAPK1MAPK6GSK3BITK
SCHEMBL8205073 0.76 SMN1; SMN2 (0.45) MAP2K4SMN1; SMN2MAPTMAPK1GSK3B
SCHEMBL14564361 0.76 SMN1; SMN2 (0.55) MAP2K4SMN1; SMN2MAPTMAPK1MAPK6
SCHEMBL22267604 0.75 GSK3B (0.55) MAP2K4SMN1; SMN2MAPTGSK3B
SCHEMBL6016609 0.75 SMN1; SMN2 (0.53) MAP2K4SMN1; SMN2MAPTGSK3BCYP1A2
SCHEMBL14979221 0.74 MAP2K4 (0.54) MAP2K4MAPK1MAPK6GSK3BITK
SCHEMBL5953156 0.73 MAP2K4 (0.51) MAP2K4MAPK1MAPK6ITK
SCHEMBL15882110 0.72 MAP2K4 (0.65) MAP2K4SMN1; SMN2MAPTMAPK1MAPK6

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 4247/4885SMN1; SMN2 2920/4885MAPT 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.