SCHEMBL23914774

SCHEMBL23914774

N#Cc1nc2nc(Cc3nn(CC(=O)N4CCOCC4)c(=O)c4ccccc34)cn2cc1OCC(F)F

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 5/20 0.46
MAPT P10636 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GAA P10253 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HSD17B10 Q99714 1/20 0.38
POLB P06746 2/20 0.37
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 2/20 0.35
TSHR P16473 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 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
SCHEMBL23908978 0.88 S1PR2 (0.51) S1PR2MAPTSMN1; SMN2GAAKDM4E
SCHEMBL23914585 0.77 S1PR2 (0.68) S1PR2MAPTSMN1; SMN2GAAKDM4E
SCHEMBL23908890 0.77 S1PR2 (0.66) S1PR2MAPTSMN1; SMN2GAAKDM4E
SCHEMBL23908771 0.76 S1PR2 (0.50) S1PR2NPSR1TDP1
SCHEMBL23908732 0.73 S1PR2 (0.71) S1PR2MAPTSMN1; SMN2GAAKDM4E
SCHEMBL23908792 0.73 S1PR2 (0.63) S1PR2MAPTSMN1; SMN2GAAKDM4E
SCHEMBL23909035 0.73 S1PR2 (0.58) S1PR2MAPTSMN1; SMN2GAAKDM4E
SCHEMBL23908842 0.72 S1PR2 (0.79) S1PR2MAPTSMN1; SMN2GAAKDM4E
SCHEMBL23914932 0.70 MAPT (0.58) S1PR2MAPTSMN1; SMN2GAAPOLB
SCHEMBL23915510 0.67 S1PR2 (0.58) S1PR2MAPTSMN1; SMN2GAAKDM4E

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 3/4885MAPT 4876/4885SMN1; SMN2 2920/4885

“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.