SCHEMBL16610895

SCHEMBL16610895

CCC(CC)n1cc(-c2csc(C(=O)OC)c2)c2c(=O)[nH]ccc21

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 1/20 0.35
ABL1 P00519 1/20 0.32
CHEK1 O14757 2/20 0.32
DGAT2 Q96PD7 1/20 0.32
ATR Q13535 1/20 0.31
ATRIP Q8WXE1 1/20 0.31
BRD4 O60885 1/20 0.31
EZH2 Q15910 1/20 0.31
PDE10A Q9Y233 3/20 0.30
AKT1 P31749 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
SCHEMBL16610856 0.91 ALAD (0.34) BRD4EZH2AKT1
SCHEMBL16611409 0.88 HPGD (0.32) BRD4EZH2AKT1
SCHEMBL28120600 0.79 PRKACA (0.30)
SCHEMBL16610916 0.79 PGR (0.35)
SCHEMBL16611519 0.78 QPCT (0.38) QPCTABL1CHEK1DGAT2ATR
SCHEMBL28120268 0.76 USP2 (0.38)
SCHEMBL16610985 0.73 QPCT (0.36) QPCTABL1DGAT2
SCHEMBL16610872 0.71 BRD9 (0.35) CHEK1BRD4
SCHEMBL16623452 0.70 BRD9 (0.31)
SCHEMBL16623520 0.70 MAPT (0.36) ABL1CHEK1BRD4AKT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104507940-B Heterocyclic compounds 武田药品工业株式会社 2017-01-25 CN 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-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 QPCT 352/4885ABL1 1046/4885CHEK1 644/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 QPCT 352/4885ABL1 1046/4885CHEK1 644/4885

“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.