SCHEMBL16623458

SCHEMBL16623458

N=C(c1csc(C(=O)O)c1)c1c(NC2CCOCC2)cc[nH]c1=O

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 3/20 0.39
JAK2 O60674 2/20 0.39
TYK2 P29597 1/20 0.39
JAK3 P52333 1/20 0.39
PRKAA1 Q13131 1/20 0.39
BRD4 O60885 1/20 0.32
HCAR3 P49019 3/20 0.31
CREBBP Q92793 1/20 0.31
PDE3B Q13370 1/20 0.30
PDE3A Q14432 1/20 0.30
KDM1A O60341 4/20 0.30
MAOA P21397 2/20 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
SCHEMBL16623543 0.91 JAK1 (0.38) JAK1JAK2TYK2JAK3PRKAA1
SCHEMBL16623456 0.91 HCAR3 (0.36) JAK1JAK2BRD4HCAR3
SCHEMBL16623551 0.82 JAK1 (0.34) JAK1JAK2TYK2JAK3BRD4
SCHEMBL16623474 0.81 HSP90AA1 (0.35) JAK1JAK2TYK2JAK3PRKAA1
SCHEMBL16623536 0.81 HSP90AA1 (0.35) JAK1JAK2TYK2JAK3PRKAA1
SCHEMBL17849195 0.81 HSP90AA1 (0.35) JAK1JAK2TYK2JAK3PRKAA1
SCHEMBL16623491 0.81 JAK1 (0.34) JAK1JAK2TYK2BRD4
SCHEMBL16623529 0.81 JAK1 (0.33) JAK1
SCHEMBL17849243 0.80 JAK1 (0.42) JAK1JAK2TYK2JAK3PRKAA1
SCHEMBL16623510 0.80 JAK1 (0.42) 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.