SCHEMBL18100263

SCHEMBL18100263

CCOC(=O)[C@H]1CC[C@@](O)(c2ccc(Br)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 2/20 0.51
ALDH1A1 P00352 4/20 0.50
HSD11B1 P28845 1/20 0.50
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
GAA P10253 1/20 0.49
HPGD P15428 1/20 0.45
MAPK1 P28482 1/20 0.45
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
POLB P06746 1/20 0.43
LMNA P02545 1/20 0.43
TAS2R14 Q9NYV8 1/20 0.43
TP53 P04637 2/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL18100266 1.00 FPR2 (0.51) FPR2ALDH1A1HSD11B1MEN1KMT2A
SCHEMBL18093639 1.00 FPR2 (0.51) FPR2ALDH1A1HSD11B1MEN1KMT2A
SCHEMBL9810581 0.89 ALDH1A1 (0.51) FPR2ALDH1A1MEN1KMT2ATSHR
SCHEMBL7804804 0.86 MEN1 (0.53) ALDH1A1MEN1KMT2ATSHRPOLB
SCHEMBL9810410 0.86 LMNA (0.53) ALDH1A1MEN1KMT2ATSHRPOLB
SCHEMBL26580348 0.86 ALDH1A1 (0.46) FPR2ALDH1A1HSD11B1MEN1KMT2A
SCHEMBL9810531 0.85 GAA (0.51) ALDH1A1MEN1KMT2AGAATSHR
SCHEMBL9810263 0.85 KMT2A (0.54) ALDH1A1KMT2AHPGDTSHRPOLB
SCHEMBL9810389 0.84 OPRM1 (0.43) ALDH1A1MEN1KMT2ATSHRPOLB
SCHEMBL9810373 0.82 KMT2A (0.51) ALDH1A1KMT2AHPGDMAPK1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9725445-B2 Cycloalkyl nitrile pyrazolo pyridones as Janus kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-08 US disclosed
US-9725445-B2 Cycloalkyl nitrile pyrazolo pyridones as Janus kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-08 US disclosed
US-20160280704-A1 CYCLOALKYL NITRILE PYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-09-29 US disclosed
US-20160280704-A1 CYCLOALKYL NITRILE PYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-09-29 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 (1 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-20160280704-A1 CYCLOALKYL NITRILE PYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS JAK1, JAK3, JAK2 FPR2 823/4885ALDH1A1 1154/4885HSD11B1 1948/4885

“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.