SCHEMBL16623456

SCHEMBL16623456

N=C(c1csc(C(=O)O)c1)c1c(NC2CCCC2)cc[nH]c1=O

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 5/20 0.36
JAK1 P23458 8/20 0.33
JAK2 O60674 4/20 0.33
BRD4 O60885 1/20 0.33
HDAC8 Q9BY41 1/20 0.32
ROCK2 O75116 3/20 0.31
EPHX2 P34913 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
SCHEMBL16623458 0.91 JAK1 (0.39) HCAR3JAK1JAK2BRD4
SCHEMBL16623551 0.91 JAK1 (0.34) HCAR3JAK1JAK2BRD4HDAC8
SCHEMBL16623491 0.90 JAK1 (0.34) JAK1JAK2BRD4HDAC8ROCK2
SCHEMBL17849241 0.89 JAK1 (0.38) HCAR3JAK1JAK2BRD4HDAC8
SCHEMBL18052627 0.88 FYN (0.35) JAK1JAK2BRD4HDAC8
SCHEMBL16623498 0.86 CA12 (0.36) JAK1JAK2BRD4HDAC8
SCHEMBL16623474 0.84 HSP90AA1 (0.35) JAK1JAK2
SCHEMBL16623536 0.84 HSP90AA1 (0.35) JAK1JAK2
SCHEMBL17849195 0.84 HSP90AA1 (0.35) JAK1JAK2
SCHEMBL17849243 0.83 JAK1 (0.42) JAK1JAK2ROCK2

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 HCAR3 3525/4885JAK1 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.