SCHEMBL20209701

SCHEMBL20209701

Nc1c(C(=O)S)cnn1-c1ccccc1F

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.71
RIPK2 O43353 1/20 0.47
SCN9A Q15858 5/20 0.46
LCK P06239 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
FGFR1 P11362 1/20 0.41
SRC P12931 1/20 0.41
FGFR2 P21802 1/20 0.41
FGFR4 P22455 1/20 0.41
FGFR3 P22607 1/20 0.41
KDR P35968 1/20 0.41
LMNA P02545 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL1691549 0.87 MAPK14 (0.72) MAPK14RIPK2SCN9ALCKCYP2C9
SCHEMBL3376470 0.87 MAPK14 (0.77) MAPK14RIPK2SCN9ALCKCYP2C9
SCHEMBL13184789 0.85 MAPK14 (0.71) MAPK14RIPK2SCN9ALCKCYP2C9
SCHEMBL12000959 0.85 MAPK14 (0.71) MAPK14RIPK2SCN9ALCKCYP2C9
SCHEMBL15930180 0.82 MAPK14 (0.66) MAPK14RIPK2SCN9ALCKCYP2C9
SCHEMBL13377946 0.82 MAPK14 (0.70) MAPK14SCN9ALCKCYP2C9CYP2C19
SCHEMBL20263149 0.82 MAPK14 (0.66) MAPK14RIPK2SCN9ALCKCYP2C9
SCHEMBL20209829 0.81 MAPK14 (0.48) MAPK14RIPK2SCN9AFGFR1SRC
SCHEMBL3520425 0.79 ALDH1A1 (0.69) MAPK14CYP2C19LMNARAB9ASMN1; SMN2
SCHEMBL31116973 0.79 ALDH1A1 (0.69) MAPK14CYP2C19LMNARAB9ASMN1; SMN2

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
US-10208068-B2 Macrocycles as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2019-02-19 US disclosed
US-20180148461-A1 NOVEL MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-05-31 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 (2 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-20180148461-A1 NOVEL MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F12 MAPK14 202/4885RIPK2 416/4885SCN9A 1671/4885
US-10208068-B2 Macrocycles as factor XIa inhibitors TFPI, TFPI2, F12 MAPK14 264/4885RIPK2 489/4885SCN9A 1414/4885

“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.