SCHEMBL16008581

SCHEMBL16008581

CC(C)(C)OC(=O)N1CCC(Nc2nc(C#N)cc3ccc(F)cc23)C1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 2/20 0.51
PIK3CD O00329 2/20 0.50
DNMT3A Q9Y6K1 1/20 0.47
GPR119 Q8TDV5 3/20 0.47
BTK Q06187 1/20 0.44
USP30 Q70CQ3 3/20 0.42
EHMT2 Q96KQ7 1/20 0.42
IRAK4 Q9NWZ3 1/20 0.42
JAK2 O60674 3/20 0.42
JAK1 P23458 3/20 0.42
PIK3CA P42336 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL16008582 1.00 NSD2 (0.51) NSD2PIK3CDDNMT3AGPR119BTK
SCHEMBL16008071 0.89 NSD2 (0.51) NSD2PIK3CDGPR119BTKUSP30
SCHEMBL16008070 0.89 NSD2 (0.51) NSD2PIK3CDGPR119BTKUSP30
SCHEMBL16008237 0.88 NSD2 (0.53) NSD2PIK3CDGPR119BTKUSP30
SCHEMBL16008235 0.88 NSD2 (0.53) NSD2PIK3CDGPR119BTKUSP30
SCHEMBL16008301 0.86 PIK3CD (0.51) NSD2PIK3CDDNMT3AGPR119BTK
SCHEMBL16008300 0.86 PIK3CD (0.51) NSD2PIK3CDDNMT3AGPR119BTK
SCHEMBL16008262 0.84 GPR119 (0.49) NSD2PIK3CDGPR119BTKUSP30
SCHEMBL16008263 0.84 GPR119 (0.49) NSD2PIK3CDGPR119BTKUSP30
SCHEMBL16008854 0.82 DNMT3A (0.46) NSD2PIK3CDDNMT3ABTKUSP30

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 10 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
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-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
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 52/4885DNMT3A 2828/4885
US-20180015083-A1 PYRIDINYL AND FUSED PYRIDINYL TRIAZOLONE DERIVATIVES BTK, LCK, TYK2 NSD2 2968/4885PIK3CD 52/4885DNMT3A 2828/4885
US-20190224190-A1 PYRIDINYL AND FUSED PYRIDINYL TRIAZOLONE DERIVATIVES BTK, LCK, TYK2 NSD2 2968/4885PIK3CD 52/4885DNMT3A 2828/4885
US-20140256734-A1 PYRIDINYL AND FUSED PYRIDINYL TRIAZOLONE DERIVATIVES BTK, LCK, TYK2 NSD2 2968/4885PIK3CD 52/4885DNMT3A 2828/4885
US-10307414-B2 Pyridinyl and fused pyridinyl triazolone derivatives BTK, LCK, TYK2 NSD2 2968/4885PIK3CD 52/4885DNMT3A 2828/4885

“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.