SCHEMBL16008402

SCHEMBL16008402

COc1cccc2cc(C#N)nc(NC3CCN(C(=O)OC(C)(C)C)C3)c12

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 3/20 0.53
PIK3CD O00329 2/20 0.49
EHMT2 Q96KQ7 2/20 0.47
BTK Q06187 1/20 0.45
ALDH1A1 P00352 1/20 0.45
DNMT3A Q9Y6K1 1/20 0.45
GPR119 Q8TDV5 2/20 0.44
PARP1 P09874 1/20 0.42
PIM1 P11309 2/20 0.42
PIM2 Q9P1W9 2/20 0.42
STS P08842 1/20 0.42
KDM1A O60341 1/20 0.42
RCOR1 Q9UKL0 1/20 0.42
USP30 Q70CQ3 2/20 0.41
PIK3CA P42336 1/20 0.41
IDH1 O75874 1/20 0.41

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
SCHEMBL16008403 1.00 NSD2 (0.53) NSD2PIK3CDEHMT2BTKALDH1A1
SCHEMBL16008262 0.90 GPR119 (0.49) NSD2PIK3CDBTKALDH1A1GPR119
SCHEMBL16008263 0.90 GPR119 (0.49) NSD2PIK3CDBTKALDH1A1GPR119
SCHEMBL16008649 0.89 NSD2 (0.46) NSD2PIK3CDBTKALDH1A1GPR119
SCHEMBL16008650 0.89 NSD2 (0.46) NSD2PIK3CDBTKALDH1A1GPR119
SCHEMBL16148341 0.88 NSD2 (0.44) NSD2PIK3CDEHMT2PIK3CA
SCHEMBL16008237 0.85 NSD2 (0.53) NSD2PIK3CDEHMT2BTKALDH1A1
SCHEMBL16008235 0.85 NSD2 (0.53) NSD2PIK3CDEHMT2BTKALDH1A1
SCHEMBL16008547 0.83 PIK3CD (0.49) NSD2PIK3CDEHMT2BTKALDH1A1
SCHEMBL16008548 0.83 PIK3CD (0.49) NSD2PIK3CDEHMT2BTKALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190224190-A1 PYRIDINYL AND FUSED PYRIDINYL TRIAZOLONE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-07-25 US disclosed
US-10307414-B2 Pyridinyl and fused pyridinyl triazolone derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-06-04 US disclosed
US-20180015083-A1 PYRIDINYL AND FUSED PYRIDINYL TRIAZOLONE DERIVATIVES TAKEDA CALIFORNIA, INC. 2018-01-18 US disclosed
US-9801872-B2 Pyridinyl and fused pyridinyl triazolone derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-10-31 US disclosed
EP-3235814-A1 PYRIDINYL AND FUSED PYRIDINYL TRIAZOLONE DERIVATIVES Takeda Pharmaceutical Company Limited (JP) 2017-10-25 EP disclosed
EP-2970202-B1 PYRIDINYL AND FUSED PYRIDINYL TRIAZOLONE DERIVATIVES TAKEDA PHARMACEUTICALS CO (JP) 2017-02-01 EP disclosed
US-20160310483-A1 PYRIDINYL AND FUSED PYRIDINYL TRIAZOLONE DERIVATIVES TAKEDA CALIFORNIA INC. 2016-10-27 US disclosed
US-9402841-B2 Pyridinyl and fused pyridinyl triazolone derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-08-02 US disclosed
EP-2970202-A1 PYRIDINYL AND FUSED PYRIDINYL TRIAZOLONE DERIVATIVES Takeda Pharmaceutical Company Limited (JP) 2016-01-20 EP disclosed
WO-2014164558-A1 PYRIDINYL AND FUSED PYRIDINYL TRIAZOLONE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-10-09 WO disclosed
US-20140256734-A1 PYRIDINYL AND FUSED PYRIDINYL TRIAZOLONE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-09-11 US 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 (5 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-20160310483-A1 PYRIDINYL AND FUSED PYRIDINYL TRIAZOLONE DERIVATIVES BTK, LCK, TYK2 NSD2 2968/4885PIK3CD 52/4885EHMT2 3681/4885
US-20180015083-A1 PYRIDINYL AND FUSED PYRIDINYL TRIAZOLONE DERIVATIVES BTK, LCK, TYK2 NSD2 2968/4885PIK3CD 52/4885EHMT2 3681/4885
US-20190224190-A1 PYRIDINYL AND FUSED PYRIDINYL TRIAZOLONE DERIVATIVES BTK, LCK, TYK2 NSD2 2968/4885PIK3CD 52/4885EHMT2 3681/4885
US-20140256734-A1 PYRIDINYL AND FUSED PYRIDINYL TRIAZOLONE DERIVATIVES BTK, LCK, TYK2 NSD2 2968/4885PIK3CD 52/4885EHMT2 3681/4885
US-10307414-B2 Pyridinyl and fused pyridinyl triazolone derivatives BTK, LCK, TYK2 NSD2 2968/4885PIK3CD 52/4885EHMT2 3681/4885

“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.