SCHEMBL15528126

SCHEMBL15528126

C#CC(C)O[C@H](C)COCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
CA1 P00915 4/20 0.42
CA2 P00918 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
TACR1 P25103 3/20 0.41
KMT2A Q03164 1/20 0.41
HTT P42858 1/20 0.38
MAOB P27338 1/20 0.37
SLC1A1 P43005 1/20 0.37
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL28232944 0.84 TSHR (0.56) TSHRCA1CA2CA7CA9
SCHEMBL4621117 0.84 TSHR (0.56) TSHRCA1CA2CA7CA9
SCHEMBL12408480 0.81 TSHR (0.52) TSHRCA1CA2CA7CA9
SCHEMBL3590339 0.80 TSHR (0.50) TSHRCA1CA2CA7CA9
SCHEMBL13535468 0.78 TSHR (0.48) TSHRCA1CA2CA7CA9
SCHEMBL28499564 0.75 MAOB (0.43) TSHRKMT2AMAOBSLC1A1CYP1A2
SCHEMBL28499565 0.75 MAOB (0.43) TSHRKMT2AMAOBSLC1A1CYP1A2
SCHEMBL16732414 0.75 KMT2A (0.55) TSHRCA1CA2CA7CA9
SCHEMBL21540243 0.75 KMT2A (0.55) TSHRCA1CA2CA7CA9
SCHEMBL31059752 0.75 MAOB (0.43) TSHRKMT2AMAOBSLC1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2844658-B1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS FOR USE IN THE TREATMENT OF PARKINSON'S DISEASE GENENTECH INC (US) 2019-03-20 EP disclosed
US-9212186-B2 Bicyclic pyrazole LRRK2 small molecule inhibitors GENENTECH, INC. (US) 2015-12-15 US disclosed
EP-2844658-A1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS FOR USE IN THE TREATMENT OF PARKINSON'S DISEASE F. Hoffmann-La Roche AG (CH) 2015-03-11 EP disclosed
US-20150051201-A1 BICYCLIC PYRAZOLE LRRK2 SMALL MOLECULE INHIBITORS GENENTECH, INC. (US) 2015-02-19 US disclosed
WO-2013164323-A1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS FOR USE IN THE TREATMENT OF PARKINSON'S DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2013-11-07 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 (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-20150051201-A1 BICYCLIC PYRAZOLE LRRK2 SMALL MOLECULE INHIBITORS LRRK2, PARK7, PINK1 TSHR 1111/4885CA1 4794/4885CA2 4578/4885

“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.