SCHEMBL19253675

SCHEMBL19253675

Cc1cc(Br)ccc1[C@@]1(C)CN(C=O)CCO1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
POLB P06746 1/20 0.32
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
ALOX15 P16050 1/20 0.31
ALOX12 P18054 1/20 0.31
HBB P68871 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL19253721 1.00 HCRTR1 (0.33) HCRTR1HCRTR2POLBMEN1MAPT
SCHEMBL12713766 0.65 KDM4E (0.40) POLBMEN1MAPTKMT2A
SCHEMBL19253755 0.65 CTSL (0.37) POLB
SCHEMBL9226195 0.63 PRKDC (0.34) MAPT
SCHEMBL25932310 0.63 LATS1 (0.41) POLBMEN1MAPTALOX15ALOX12
SCHEMBL16125184 0.61 KRAS (0.44) POLBMAPTKMT2A
SCHEMBL11455279 0.61 PKM (0.33) POLBMEN1MAPTALOX15ALOX12
SCHEMBL28284997 0.61
SCHEMBL13356700 0.60 PKM (0.38) POLBMEN1MAPTALOX15ALOX12
SCHEMBL25931960 0.60 ALDH1A1 (0.43) MEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3209296-B1 ETHYL N-BOC PIPERIDINYL PYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME (US) 2019-07-10 EP disclosed
US-10072025-B2 Ethyl N-boc piperidinyl pyrazolo pyridones as Janus kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2018-09-11 US disclosed
US-20170240567-A1 ETHYL N-BOC PIPERIDINYL PYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-08-24 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 (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-20170240567-A1 ETHYL N-BOC PIPERIDINYL PYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS JAK1, JAK2, JAK3 HCRTR1 3407/4885HCRTR2 4052/4885POLB 2279/4885
US-10072025-B2 Ethyl N-boc piperidinyl pyrazolo pyridones as Janus kinase inhibitors JAK1, JAK2, JAK3 HCRTR1 3407/4885HCRTR2 4052/4885POLB 2279/4885

“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.