SCHEMBL16610936

SCHEMBL16610936

CNC(=O)c1cc(-c2cn(C3CCCC3)c3c(C(=O)NC)c[nH]c(=O)c23)cs1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MARK3 P27448 7/20 0.34
TYK2 P29597 2/20 0.34
SGK1 O00141 1/20 0.34
PIK3CD O00329 1/20 0.34
CHEK1 O14757 1/20 0.34
MAPK13 O15264 1/20 0.34
PDPK1 O15530 1/20 0.34
NUAK1 O60285 1/20 0.34
CCNT1 O60563 1/20 0.34
JAK2 O60674 1/20 0.34
ROCK2 O75116 1/20 0.34
CHEK2 O96017 1/20 0.34
ABL1 P00519 1/20 0.34
EGFR P00533 1/20 0.34
RAF1 P04049 1/20 0.34
ERBB2 P04626 1/20 0.34
NTRK1 P04629 1/20 0.34
LCK P06239 1/20 0.34
CSF1R P07333 1/20 0.34
IGF1R P08069 1/20 0.34

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
SCHEMBL18052591 0.92 MARK3 (0.32) MARK3TYK2SGK1PIK3CDCHEK1
SCHEMBL16610913 0.87 XDH (0.33) MARK3TYK2SGK1PIK3CDCHEK1
SCHEMBL16611421 0.83 MEN1 (0.34) MARK3TYK2SGK1PIK3CDCHEK1
SCHEMBL16611259 0.83 BRD4 (0.33) MARK3TYK2SGK1PIK3CDCHEK1
SCHEMBL16611298 0.83 OPRM1 (0.31) MARK3TYK2SGK1PIK3CDCHEK1
SCHEMBL16611657 0.83 QPCT (0.32) MARK3TYK2SGK1PIK3CDCHEK1
SCHEMBL16611221 0.82 KDM4E (0.32) GSK3B
SCHEMBL16623532 0.81 KDM4E (0.30) GSK3B
SCHEMBL16728935 0.80 TOP2A (0.30)
SCHEMBL16610835 0.78 MARK3 (0.38) MARK3TYK2SGK1PIK3CDCHEK1

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 MARK3 1282/4885TYK2 467/4885SGK1 1496/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 MARK3 1282/4885TYK2 467/4885SGK1 1496/4885

“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.