SCHEMBL16623499

SCHEMBL16623499

N=C(c1csc(C(N)=O)c1)c1c(NC2CCC(O)(c3ccccc3)CC2)cc[nH]c1=O

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
OPRK1 P41145 1/20 0.31
JAK1 P23458 3/20 0.30
TRPV1 Q8NER1 1/20 0.30
NUAK1 O60285 1/20 0.30
JAK2 O60674 1/20 0.30
PDGFRA P16234 1/20 0.30
TYK2 P29597 1/20 0.30
FLT3 P36888 1/20 0.30
JAK3 P52333 1/20 0.30
PRKAA1 Q13131 1/20 0.30
BRSK1 Q8TDC3 1/20 0.30
SIK2 Q9H0K1 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
SCHEMBL16623546 0.88 JAK1 (0.33) JAK1JAK2TYK2JAK3
SCHEMBL16623551 0.86 JAK1 (0.34) JAK1JAK2TYK2JAK3
SCHEMBL17849195 0.85 HSP90AA1 (0.35) JAK1NUAK1JAK2PDGFRATYK2
SCHEMBL16623474 0.85 HSP90AA1 (0.35) JAK1NUAK1JAK2PDGFRATYK2
SCHEMBL16623491 0.85 JAK1 (0.34) JAK1JAK2TYK2
SCHEMBL16623536 0.85 HSP90AA1 (0.35) JAK1NUAK1JAK2PDGFRATYK2
SCHEMBL16623510 0.85 JAK1 (0.42) JAK1NUAK1JAK2PDGFRATYK2
SCHEMBL16623472 0.85 JAK1 (0.33) JAK1JAK2TYK2JAK3
SCHEMBL17849243 0.85 JAK1 (0.42) JAK1NUAK1JAK2PDGFRATYK2
SCHEMBL16623529 0.84 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 CNR1 3168/4885CNR2 2611/4885OPRK1 4106/4885

“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.