SCHEMBL16611348

SCHEMBL16611348

C[C@]1(O)CC[C@@H](n2nc(-c3csc(C(N)=O)c3)c3c(=O)[nH]ccc32)CC1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 17/20 0.34
JAK2 O60674 13/20 0.34
RET P07949 1/20 0.33
KDR P35968 1/20 0.33
EGFR P00533 2/20 0.33
JAK3 P52333 4/20 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
SCHEMBL16611347 1.00 JAK1 (0.34) JAK1JAK2RETKDREGFR
SCHEMBL16611256 0.89 PIK3CD (0.37) JAK1JAK2RETKDREGFR
SCHEMBL16611161 0.88 JAK2 (0.39) JAK1JAK2
SCHEMBL16610880 0.88 JAK1 (0.34) JAK1JAK2RETKDREGFR
SCHEMBL16610893 0.88 JAK1 (0.34) JAK1JAK2RETKDREGFR
SCHEMBL16611254 0.88 JAK1 (0.34) JAK1JAK2RETKDREGFR
SCHEMBL16611499 0.88 EGFR (0.34) JAK1JAK2EGFR
SCHEMBL16611397 0.87 JAK2 (0.31) JAK1JAK2KDREGFR
SCHEMBL16610991 0.87 JAK2 (0.31) JAK1JAK2KDREGFR
SCHEMBL16611329 0.87 JAK2 (0.31) JAK1JAK2KDREGFR

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 4 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-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 JAK1 2/4885JAK2 1/4885RET 2202/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 JAK1 2/4885JAK2 1/4885RET 2202/4885

“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.