SCHEMBL16623488

SCHEMBL16623488

N=C(c1ccc(S)cc1)c1c(NC2CCC(O)CC2)cc[nH]c1=O

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 17/20 0.33
JAK2 O60674 4/20 0.33
TYK2 P29597 3/20 0.33
JAK3 P52333 3/20 0.33
PRKAA1 Q13131 2/20 0.33
NUAK1 O60285 1/20 0.33
PDGFRA P16234 1/20 0.33
FLT3 P36888 1/20 0.33
BRSK1 Q8TDC3 1/20 0.33
SIK2 Q9H0K1 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
ADORA1 P30542 1/20 0.33
MAPK14 Q16539 1/20 0.31
PDE3B Q13370 1/20 0.30
PDE3A Q14432 1/20 0.30

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
SCHEMBL16623464 0.92 JAK1 (0.38) JAK1JAK2TYK2JAK3PRKAA1
SCHEMBL16623542 0.91 JAK1 (0.39) JAK1JAK2
SCHEMBL16623582 0.89 JAK1 (0.33) JAK1JAK2TYK2JAK3PRKAA1
SCHEMBL16623512 0.88 JAK1 (0.43) JAK1JAK2TYK2JAK3PRKAA1
SCHEMBL16623567 0.86 BRD4 (0.36) JAK1
SCHEMBL16623538 0.85 JAK1 (0.31) JAK1JAK2TYK2JAK3
SCHEMBL18052604 0.85 JAK1 (0.34) JAK1JAK2TYK2JAK3PRKAA1
SCHEMBL16623581 0.84 JAK2 (0.37) JAK1JAK2TYK2JAK3PRKAA1
SCHEMBL16623501 0.83 JAK1 (0.34) JAK1
SCHEMBL16623440 0.82 JAK2 (0.44) JAK1JAK2TYK2JAK3PRKAA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9371320-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-21 US disclosed
US-9371320-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-21 US disclosed
US-20150141406-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-21 US disclosed
US-20150141406-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-21 US disclosed
EP-2857400-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2015-04-08 EP 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-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 JAK1 2/4885JAK2 1/4885TYK2 467/4885

“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.