SCHEMBL16129147

SCHEMBL16129147

CC(C)NC(c1ccc(Br)cc1F)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APLNR P35414 4/20 0.40
PDE2A O00408 2/20 0.38
FPR2 P25090 2/20 0.36
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
CTSL P07711 2/20 0.32
CTSB P07858 2/20 0.32
CTSS P25774 2/20 0.32
CTSK P43235 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPK1 P28482 1/20 0.31
OPRM1 P35372 1/20 0.31
AAK1 Q2M2I8 2/20 0.31
DGAT1 O75907 1/20 0.31
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
NFKB1 P19838 1/20 0.31
RAB9A P51151 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31

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
SCHEMBL31369222 0.83 APLNR (0.39) APLNRPDE2AFPR2KDM4EOPRM1
SCHEMBL16129145 0.81 APLNR (0.39) APLNRPDE2AFPR2JAK2JAK1
SCHEMBL16129142 0.79 APLNR (0.37) APLNRPDE2AFPR2JAK2JAK1
SCHEMBL22031401 0.76 CYP3A4 (0.36) CTSLCTSBCTSSCTSKALDH1A1
SCHEMBL22016230 0.76 CYP3A4 (0.36) CTSLCTSBCTSSCTSKALDH1A1
SCHEMBL22016897 0.76 CYP3A4 (0.36) CTSLCTSBCTSSCTSKALDH1A1
SCHEMBL16121135 0.75 CTSL (0.48) CTSLCTSBCTSSCTSKSMN1; SMN2
SCHEMBL31369161 0.75 APLNR (0.35) APLNR
SCHEMBL2550576 0.73 APLNR (0.50) APLNRPDE2AFPR2KDM4EOPRM1
SCHEMBL30169618 0.73 APLNR (0.50) APLNRPDE2AFPR2KDM4EOPRM1

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 7 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
EP-2976341-B1 ACYCLIC CYANOETHYLPYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME (US) 2018-02-28 EP 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
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 APLNR 1787/4885PDE2A 864/4885FPR2 1189/4885
US-10059705-B2 Acyclic cyanoethylpyrazolo pyridones as janus kinase inhibitors JAK1, JAK2, JAK3 APLNR 1787/4885PDE2A 864/4885FPR2 1189/4885

“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.