SCHEMBL4099692

SCHEMBL4099692

O=c1[nH]ccc2c3sc(F)nc3c3ccccc3c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 5/20 0.42
PARP1 P09874 4/20 0.41
JAK2 O60674 9/20 0.39
JAK3 P52333 4/20 0.39
JAK1 P23458 2/20 0.39
TYK2 P29597 2/20 0.39
TYMS P04818 1/20 0.38
RPS6KA3 P51812 2/20 0.38
MELK Q14680 2/20 0.38
PIM1 P11309 2/20 0.38
IKBKB O14920 1/20 0.38
MAPK13 O15264 1/20 0.38
DAPK3 O43293 1/20 0.38
PRKD3 O94806 1/20 0.38
FYN P06241 1/20 0.38
RET P07949 1/20 0.38
HCK P08631 1/20 0.38
PDGFRB P09619 1/20 0.38
FGFR1 P11362 1/20 0.38
PDGFRA P16234 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
SCHEMBL13741467 0.84 TLR8 (0.48) CHEK1PARP1JAK2JAK3JAK1
SCHEMBL4098541 0.82 CHEK1 (0.42) CHEK1PARP1JAK2JAK3JAK1
SCHEMBL4096833 0.81 PARP1 (0.37) CHEK1PARP1JAK2JAK3JAK1
SCHEMBL6103033 0.77 ELANE (0.41) CHEK1PARP1JAK2JAK1PIM1
SCHEMBL2358555 0.75 CHEK1 (0.60) CHEK1JAK2JAK3JAK1TYK2
SCHEMBL2356742 0.73 CHEK1 (0.53) CHEK1JAK2JAK3JAK1TYK2
SCHEMBL2355699 0.73 CHEK1 (0.54) CHEK1JAK2JAK3JAK1TYK2
SCHEMBL2356390 0.71 CHEK1 (0.50) CHEK1JAK2JAK3JAK1TYK2
SCHEMBL2356678 0.71 JAK2 (0.51) CHEK1JAK2JAK3JAK1TYK2
SCHEMBL2358739 0.71 CHEK1 (0.51) CHEK1JAK2JAK3JAK1TYK2

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-20090215766-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES INCYTE CORPORATION 2009-08-27 US disclosed
US-20060106020-A1 Tetracyclic inhibitors of Janus kinases INCYTE CORPORATION 2006-05-18 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-20090215766-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES JAK1, JAK2, JAK3 CHEK1 412/4885PARP1 1861/4885JAK2 2/4885
US-20060106020-A1 Tetracyclic inhibitors of Janus kinases JAK1, JAK2, JAK3 CHEK1 412/4885PARP1 1861/4885JAK2 2/4885

“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.