SCHEMBL16008906

SCHEMBL16008906

O=c1[nH]nc(-c2cc3cccc(Cl)c3c(OC3CCNC3)n2)[nH]1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BTK Q06187 14/20 0.45
LCK P06239 1/20 0.44
SRC P12931 1/20 0.44
MAP2K1 Q02750 1/20 0.38
HTR1A P08908 4/20 0.37
SLC6A2 P23975 4/20 0.37
CHEK1 O14757 1/20 0.37
CHEK2 O96017 1/20 0.37

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
SCHEMBL16008905 1.00 BTK (0.45) BTKLCKSRCMAP2K1HTR1A
Hydrochloric Acid SCHEMBL16008487 0.99 BTK (0.44) BTKLCKSRCMAP2K1HTR1A
Hydrochloric Acid SCHEMBL16008488 0.99 BTK (0.44) BTKLCKSRCMAP2K1HTR1A
SCHEMBL16008898 0.88 BTK (0.45) BTKLCKSRCHTR1ASLC6A2
SCHEMBL16008900 0.88 BTK (0.45) BTKLCKSRCHTR1ASLC6A2
Hydrochloric Acid SCHEMBL16008921 0.87 BTK (0.44) BTKLCKSRCHTR1ASLC6A2
Hydrochloric Acid SCHEMBL16008918 0.87 BTK (0.44) BTKLCKSRCHTR1ASLC6A2
SCHEMBL16008313 0.83 BTK (0.62) BTKLCKSRC
SCHEMBL16008083 0.83 BTK (0.62) BTKLCKSRC
SCHEMBL16008082 0.83 BTK (0.62) BTKLCKSRC

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 1/4885LCK 2/4885SRC 168/4885
US-20180015083-A1 PYRIDINYL AND FUSED PYRIDINYL TRIAZOLONE DERIVATIVES BTK, LCK, TYK2 BTK 1/4885LCK 2/4885SRC 168/4885
US-20190224190-A1 PYRIDINYL AND FUSED PYRIDINYL TRIAZOLONE DERIVATIVES BTK, LCK, TYK2 BTK 1/4885LCK 2/4885SRC 168/4885
US-20140256734-A1 PYRIDINYL AND FUSED PYRIDINYL TRIAZOLONE DERIVATIVES BTK, LCK, TYK2 BTK 1/4885LCK 2/4885SRC 168/4885
US-10307414-B2 Pyridinyl and fused pyridinyl triazolone derivatives BTK, LCK, TYK2 BTK 1/4885LCK 2/4885SRC 168/4885

“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.