SCHEMBL16008548

SCHEMBL16008548

CC(C)(C)OC(=O)N1CC[C@H](Nc2nc(C#N)cc3cccnc23)C1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.49
GPR119 Q8TDV5 4/20 0.48
NSD2 O96028 2/20 0.47
BTK Q06187 1/20 0.47
USP30 Q70CQ3 3/20 0.46
PIM1 P11309 2/20 0.45
PIM2 Q9P1W9 2/20 0.45
ALDH1A1 P00352 1/20 0.45
PARP1 P09874 1/20 0.44
IRAK4 Q9NWZ3 1/20 0.43
EHMT2 Q96KQ7 1/20 0.43
JAK2 O60674 2/20 0.43
JAK3 P52333 2/20 0.43

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
SCHEMBL16008547 1.00 PIK3CD (0.49) PIK3CDGPR119NSD2BTKUSP30
SCHEMBL16008235 0.87 NSD2 (0.53) PIK3CDGPR119NSD2BTKUSP30
SCHEMBL16008268 0.87 BTK (0.50) PIK3CDGPR119BTKUSP30PIM1
SCHEMBL16008237 0.87 NSD2 (0.53) PIK3CDGPR119NSD2BTKUSP30
SCHEMBL16008270 0.87 BTK (0.50) PIK3CDGPR119BTKUSP30PIM1
SCHEMBL16008263 0.85 GPR119 (0.49) PIK3CDGPR119NSD2BTKUSP30
SCHEMBL16008262 0.85 GPR119 (0.49) PIK3CDGPR119NSD2BTKUSP30
SCHEMBL16008650 0.84 NSD2 (0.46) PIK3CDGPR119NSD2BTKUSP30
SCHEMBL16008649 0.84 NSD2 (0.46) PIK3CDGPR119NSD2BTKUSP30
SCHEMBL16008402 0.83 NSD2 (0.53) PIK3CDGPR119NSD2BTKUSP30

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 25 patents — showing the first 20. 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-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-10307414-B2 Pyridinyl and fused pyridinyl triazolone derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-06-04 US disclosed
EP-3235814-B1 PYRIDINYL AND FUSED PYRIDINYL TRIAZOLONE DERIVATIVES TAKEDA PHARMACEUTICALS CO (JP) 2018-12-12 EP disclosed
US-20180015083-A1 PYRIDINYL AND FUSED PYRIDINYL TRIAZOLONE DERIVATIVES TAKEDA CALIFORNIA, INC. 2018-01-18 US disclosed
US-20180015083-A1 PYRIDINYL AND FUSED PYRIDINYL TRIAZOLONE DERIVATIVES TAKEDA CALIFORNIA, INC. 2018-01-18 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
US-9801872-B2 Pyridinyl and fused pyridinyl triazolone derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-10-31 US disclosed
US-20160310483-A1 PYRIDINYL AND FUSED PYRIDINYL TRIAZOLONE DERIVATIVES TAKEDA CALIFORNIA INC. 2016-10-27 US disclosed
US-20160310483-A1 PYRIDINYL AND FUSED PYRIDINYL TRIAZOLONE DERIVATIVES TAKEDA CALIFORNIA INC. 2016-10-27 US 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
US-9402841-B2 Pyridinyl and fused pyridinyl triazolone derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-08-02 US disclosed
US-9402841-B2 Pyridinyl and fused pyridinyl triazolone derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-08-02 US 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
US-20140256734-A1 PYRIDINYL AND FUSED PYRIDINYL TRIAZOLONE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-09-11 US 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 PIK3CD 52/4885GPR119 3246/4885NSD2 2968/4885
US-20180015083-A1 PYRIDINYL AND FUSED PYRIDINYL TRIAZOLONE DERIVATIVES BTK, LCK, TYK2 PIK3CD 52/4885GPR119 3246/4885NSD2 2968/4885
US-20190224190-A1 PYRIDINYL AND FUSED PYRIDINYL TRIAZOLONE DERIVATIVES BTK, LCK, TYK2 PIK3CD 52/4885GPR119 3246/4885NSD2 2968/4885
US-20140256734-A1 PYRIDINYL AND FUSED PYRIDINYL TRIAZOLONE DERIVATIVES BTK, LCK, TYK2 PIK3CD 52/4885GPR119 3246/4885NSD2 2968/4885
US-10307414-B2 Pyridinyl and fused pyridinyl triazolone derivatives BTK, LCK, TYK2 PIK3CD 52/4885GPR119 3246/4885NSD2 2968/4885

“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.