SCHEMBL16101650

SCHEMBL16101650

OC1(C(F)(F)F)Cc2ccc(Br)cc2C1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.44
PNMT P11086 5/20 0.40
ADRA2A P08913 1/20 0.40
ABHD6 Q9BV23 4/20 0.37
TDP2 O95551 1/20 0.35
PARP1 P09874 1/20 0.35
ASIC3 Q9UHC3 1/20 0.34
CMA1 P23946 1/20 0.33
AHR P35869 1/20 0.33
CCR5 P51681 1/20 0.33

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
SCHEMBL16101649 1.00 PDK2 (0.44) PDK2PNMTADRA2AABHD6TDP2
SCHEMBL24275671 0.76 TDP2 (0.41) PNMTADRA2ATDP2ASIC3CMA1
SCHEMBL18065483 0.75 PNMT (0.38) PNMTADRA2ATDP2ASIC3CMA1
SCHEMBL18065482 0.75 PNMT (0.38) PNMTADRA2ATDP2ASIC3CMA1
SCHEMBL16126595 0.71 PDK2 (0.42) PDK2PNMTADRA2AABHD6TDP2
SCHEMBL16101810 0.71 PDK2 (0.42) PDK2PNMTADRA2AABHD6TDP2
SCHEMBL19903293 0.70 PNMT (0.40) PNMTADRA2ATDP2ASIC3CMA1
SCHEMBL16103024 0.70 PDK2 (0.41) PDK2PNMTADRA2AABHD6TDP2
SCHEMBL18065522 0.70 PDK2 (0.41) PDK2PNMTADRA2AABHD6TDP2
SCHEMBL1794485 0.70 PNMT (0.40) PNMTADRA2ATDP2ASIC3CMA1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10059705-B2 Acyclic cyanoethylpyrazolo pyridones as janus kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2018-08-28 US disclosed
EP-2976341-B1 ACYCLIC CYANOETHYLPYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME (US) 2018-02-28 EP disclosed
CN-105121444-B Cyano ethyl Pyrazolopyridine ketone as the other than ring type of JANUS kinase inhibitors 默沙东公司 2018-02-16 CN disclosed
US-20160272634-A1 ACYCLIC CYANOETHYLPYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-09-22 US disclosed
US-20160272634-A1 ACYCLIC CYANOETHYLPYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-09-22 US disclosed
US-20160272634-A1 ACYCLIC CYANOETHYLPYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-09-22 US disclosed
EP-2976341-A1 ACYCLIC CYANOETHYLPYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2016-01-27 EP disclosed
WO-2014146493-A1 ACYCLIC CYANOETHYLPYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-09-25 WO 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 (2 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-20160272634-A1 ACYCLIC CYANOETHYLPYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS JAK1, JAK2, JAK3 PDK2 527/4885PNMT 3414/4885ADRA2A 3214/4885
US-10059705-B2 Acyclic cyanoethylpyrazolo pyridones as janus kinase inhibitors JAK1, JAK2, JAK3 PDK2 527/4885PNMT 3414/4885ADRA2A 3214/4885

“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.