SCHEMBL16008298

SCHEMBL16008298

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

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.45
PIK3CD O00329 2/20 0.44
NSD2 O96028 1/20 0.44
DNMT3A Q9Y6K1 1/20 0.43
USP30 Q70CQ3 6/20 0.41
PARP1 P09874 1/20 0.41
PIM1 P11309 2/20 0.41
PIM2 Q9P1W9 2/20 0.41
ALDH1A1 P00352 1/20 0.41
EHMT2 Q96KQ7 2/20 0.40
KDM1A O60341 1/20 0.40
RCOR1 Q9UKL0 1/20 0.40
PIK3CA P42336 1/20 0.40
IDH1 O75874 1/20 0.39

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
SCHEMBL16008299 1.00 BTK (0.45) BTKPIK3CDNSD2DNMT3AUSP30
SCHEMBL16009139 0.89 BTK (0.46) BTKPIK3CDUSP30PARP1PIM1
SCHEMBL16009140 0.89 BTK (0.46) BTKPIK3CDUSP30PARP1PIM1
SCHEMBL16008403 0.82 NSD2 (0.53) BTKPIK3CDNSD2DNMT3AUSP30
SCHEMBL16008402 0.82 NSD2 (0.53) BTKPIK3CDNSD2DNMT3AUSP30
SCHEMBL19497177 0.82 MEN1 (0.39) USP30PARP1
SCHEMBL16008856 0.82 DNMT3A (0.46) BTKPIK3CDNSD2DNMT3AUSP30
SCHEMBL16008854 0.82 DNMT3A (0.46) BTKPIK3CDNSD2DNMT3AUSP30
SCHEMBL16007992 0.82 CNR1 (0.45) BTKPIK3CDNSD2USP30ALDH1A1
SCHEMBL16007993 0.82 CNR1 (0.45) BTKPIK3CDNSD2USP30ALDH1A1

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 9 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
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 BTK 1/4885PIK3CD 52/4885NSD2 2968/4885
US-20180015083-A1 PYRIDINYL AND FUSED PYRIDINYL TRIAZOLONE DERIVATIVES BTK, LCK, TYK2 BTK 1/4885PIK3CD 52/4885NSD2 2968/4885
US-20190224190-A1 PYRIDINYL AND FUSED PYRIDINYL TRIAZOLONE DERIVATIVES BTK, LCK, TYK2 BTK 1/4885PIK3CD 52/4885NSD2 2968/4885
US-20140256734-A1 PYRIDINYL AND FUSED PYRIDINYL TRIAZOLONE DERIVATIVES BTK, LCK, TYK2 BTK 1/4885PIK3CD 52/4885NSD2 2968/4885
US-10307414-B2 Pyridinyl and fused pyridinyl triazolone derivatives BTK, LCK, TYK2 BTK 1/4885PIK3CD 52/4885NSD2 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.