SCHEMBL16611375

SCHEMBL16611375

NC(=O)c1cc(-n2nc(C3CCCC3)c3cc[nH]c(=O)c32)cs1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 5/20 0.33
JAK1 P23458 5/20 0.33
JAK3 P52333 5/20 0.33
TYK2 P29597 4/20 0.33
BTK Q06187 14/20 0.33
LDHA P00338 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
SCHEMBL16610812 0.80
SCHEMBL16611035 0.78 BTK (0.42) BTK
SCHEMBL25171837 0.76 JAK2 (0.39) JAK2JAK1JAK3TYK2BTK
SCHEMBL18052593 0.76 JAK2 (0.37) JAK2JAK1JAK3TYK2BTK
SCHEMBL16611171 0.75 CA1 (0.47) JAK2JAK1JAK3TYK2
SCHEMBL16611927 0.69 CFTR (0.32) LDHA
SCHEMBL16611256 0.65 PIK3CD (0.37) JAK2JAK1BTK
SCHEMBL16611265 0.64 MAP3K5 (0.30)
SCHEMBL16623551 0.61 JAK1 (0.34) JAK2JAK1JAK3TYK2
SCHEMBL16610849 0.61 MEN1 (0.36) JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160251352-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2016-09-01 US disclosed
US-20160251352-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2016-09-01 US disclosed
US-20160251352-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2016-09-01 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
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 (2 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-20160251352-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 JAK2 1/4885JAK1 2/4885JAK3 11/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 JAK2 1/4885JAK1 2/4885JAK3 11/4885

“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.