SCHEMBL16611519

SCHEMBL16611519

COC(=O)c1cc(-c2cn(C3CCCC3)c3cc[nH]c(=O)c23)cs1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 1/20 0.38
DGAT2 Q96PD7 1/20 0.36
ALDH1A1 P00352 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
ATM Q13315 1/20 0.35
JAK2 O60674 1/20 0.34
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
KMT2A Q03164 1/20 0.32
ATR Q13535 1/20 0.32
ATRIP Q8WXE1 1/20 0.32
ABL1 P00519 3/20 0.32
CHEK1 O14757 2/20 0.31
EZH2 Q15910 2/20 0.31
BRD4 O60885 1/20 0.31
TP53 P04637 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE7A Q13946 1/20 0.31
OPRL1 P41146 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
SCHEMBL16611370 0.90 KDM4E (0.35) ALDH1A1JAK2MEN1KMT2AABL1
SCHEMBL16610849 0.87 MEN1 (0.36) JAK2MEN1KMT2AABL1EGFR
SCHEMBL16610866 0.81 QPCT (0.36) QPCTJAK2ATRABL1EGFR
SCHEMBL16611559 0.79 QPCT (0.34) QPCTDGAT2ALDH1A1SMN1; SMN2NPSR1
SCHEMBL16610895 0.78 QPCT (0.35) QPCTDGAT2ATRATRIPABL1
SCHEMBL16610645 0.76 OPRM1 (0.31)
SCHEMBL16610650 0.76 OPRM1 (0.31)
SCHEMBL16610648 0.76 OPRM1 (0.31)
SCHEMBL16611657 0.76 QPCT (0.32) QPCTDGAT2ALDH1A1SMN1; SMN2NPSR1
SCHEMBL16611188 0.75 ALDH1A1 (0.38) ALDH1A1JAK2ABL1EGFRSRC

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 8 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
CN-104507940-A Heterocyclic compounds TAKEDA PHARMACEUTICAL 2015-04-08 CN 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 352/4885DGAT2 2758/4885ALDH1A1 3511/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 QPCT 352/4885DGAT2 2758/4885ALDH1A1 3511/4885

“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.