SCHEMBL16008463

SCHEMBL16008463

CC(C)(C)OC(=O)N1CCC(Nc2nc(-c3n[nH]c(=O)[nH]3)cc3cccnc23)C1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BTK Q06187 8/20 0.57
PIM1 P11309 5/20 0.48
PIM2 Q9P1W9 5/20 0.48
USP30 Q70CQ3 2/20 0.44
JAK2 O60674 2/20 0.43
JAK3 P52333 2/20 0.43
LCK P06239 1/20 0.43
SRC P12931 1/20 0.43
PARP1 P09874 1/20 0.42
PIK3CD O00329 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
SCHEMBL16008464 1.00 BTK (0.57) BTKPIM1PIM2USP30JAK2
SCHEMBL16008897 0.88 BTK (0.73) BTKPIM1PIM2USP30LCK
SCHEMBL16008896 0.88 BTK (0.73) BTKPIM1PIM2USP30LCK
SCHEMBL19497109 0.87 PIM1 (0.47) BTKPIM1PIM2USP30JAK2
SCHEMBL16009037 0.85 BTK (0.57) BTKPIM1PIM2USP30LCK
SCHEMBL16009039 0.85 BTK (0.57) BTKPIM1PIM2USP30LCK
SCHEMBL16008310 0.85 BTK (0.63) BTKJAK3LCKSRC
SCHEMBL16008308 0.85 BTK (0.63) BTKJAK3LCKSRC
SCHEMBL16008520 0.85 BTK (0.56) BTKPIM1PIM2LCKSRC
SCHEMBL16008518 0.85 BTK (0.56) BTKPIM1PIM2LCKSRC

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 BTK 1/4885PIM1 392/4885PIM2 675/4885
US-20180015083-A1 PYRIDINYL AND FUSED PYRIDINYL TRIAZOLONE DERIVATIVES BTK, LCK, TYK2 BTK 1/4885PIM1 392/4885PIM2 675/4885
US-20190224190-A1 PYRIDINYL AND FUSED PYRIDINYL TRIAZOLONE DERIVATIVES BTK, LCK, TYK2 BTK 1/4885PIM1 392/4885PIM2 675/4885
US-20140256734-A1 PYRIDINYL AND FUSED PYRIDINYL TRIAZOLONE DERIVATIVES BTK, LCK, TYK2 BTK 1/4885PIM1 392/4885PIM2 675/4885
US-10307414-B2 Pyridinyl and fused pyridinyl triazolone derivatives BTK, LCK, TYK2 BTK 1/4885PIM1 392/4885PIM2 675/4885

“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.