SCHEMBL16610880

SCHEMBL16610880

NC(=O)c1cc(-c2nn(C3CCC(O)CC3)c3cc[nH]c(=O)c23)cs1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 14/20 0.34
JAK2 O60674 14/20 0.34
PIK3CD O00329 3/20 0.31
ABL1 P00519 3/20 0.31
EGFR P00533 3/20 0.31
HCK P08631 3/20 0.31
SRC P12931 3/20 0.31
KDR P35968 3/20 0.31
PIK3CA P42336 3/20 0.31
PIK3CB P42338 3/20 0.31
MTOR P42345 3/20 0.31
PIK3CG P48736 3/20 0.31
EPHB4 P54760 3/20 0.31
PRKDC P78527 3/20 0.31
PI4KB Q9UBF8 2/20 0.31
ULK1 O75385 1/20 0.30
CNR1 P21554 1/20 0.30
DAPK3 O43293 1/20 0.30
ROCK2 O75116 1/20 0.30
PRKD3 O94806 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
SCHEMBL16610893 1.00 JAK1 (0.34) JAK1JAK2PIK3CDABL1EGFR
SCHEMBL16611254 1.00 JAK1 (0.34) JAK1JAK2PIK3CDABL1EGFR
SCHEMBL16610993 0.93 JAK2 (0.31) JAK1JAK2PIK3CDABL1EGFR
SCHEMBL16610991 0.93 JAK2 (0.31) JAK1JAK2PIK3CDABL1EGFR
SCHEMBL16611397 0.93 JAK2 (0.31) JAK1JAK2PIK3CDABL1EGFR
SCHEMBL16611256 0.93 PIK3CD (0.37) JAK1JAK2PIK3CDABL1EGFR
SCHEMBL16611329 0.91 JAK2 (0.31) JAK1JAK2PIK3CDABL1EGFR
SCHEMBL16611596 0.90 CREBBP (0.39) JAK1JAK2
SCHEMBL16611348 0.88 JAK1 (0.34) JAK1JAK2EGFRKDRRET
SCHEMBL16611347 0.88 JAK1 (0.34) JAK1JAK2EGFRKDRRET

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 JAK1 2/4885JAK2 1/4885PIK3CD 1337/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 JAK1 2/4885JAK2 1/4885PIK3CD 1337/4885

“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.