SCHEMBL16623474

SCHEMBL16623474

N=C(c1csc(C(N)=O)c1)c1c(NC2CCC(O)CC2)cc[nH]c1=O

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 4/20 0.35
JAK1 P23458 5/20 0.35
JAK2 O60674 2/20 0.33
TYK2 P29597 2/20 0.33
JAK3 P52333 2/20 0.33
F2 P00734 1/20 0.32
ST14 Q9Y5Y6 1/20 0.32
NUAK1 O60285 1/20 0.32
PDGFRA P16234 1/20 0.32
FLT3 P36888 1/20 0.32
PRKAA1 Q13131 1/20 0.32
BRSK1 Q8TDC3 1/20 0.32
SIK2 Q9H0K1 1/20 0.32
HSP90AB1 P08238 1/20 0.31

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
SCHEMBL17849195 1.00 HSP90AA1 (0.35) HSP90AA1JAK1JAK2TYK2JAK3
SCHEMBL16623536 1.00 HSP90AA1 (0.35) HSP90AA1JAK1JAK2TYK2JAK3
SCHEMBL16623510 0.93 JAK1 (0.42) JAK1JAK2TYK2JAK3F2
SCHEMBL17849243 0.93 JAK1 (0.42) JAK1JAK2TYK2JAK3F2
SCHEMBL16623551 0.93 JAK1 (0.34) JAK1JAK2TYK2JAK3
SCHEMBL16623491 0.92 JAK1 (0.34) JAK1JAK2TYK2
SCHEMBL16623472 0.91 JAK1 (0.33) JAK1JAK2TYK2JAK3
SCHEMBL16623543 0.90 JAK1 (0.38) HSP90AA1JAK1JAK2TYK2JAK3
SCHEMBL16623546 0.89 JAK1 (0.33) JAK1JAK2TYK2JAK3
SCHEMBL16623529 0.87 JAK1 (0.33) JAK1

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 HSP90AA1 2245/4885JAK1 2/4885JAK2 1/4885

“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.