SCHEMBL15528332

SCHEMBL15528332

CC(=O)c1c([N+](=O)[O-])cnn1C1CCCCO1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
CYP4F2 P78329 2/20 0.38
CYP4A11 Q02928 2/20 0.38
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
CYP3A4 P08684 1/20 0.37
KMT2A Q03164 1/20 0.37
GAA P10253 1/20 0.36
HCAR3 P49019 1/20 0.35
PKM P14618 1/20 0.35

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
SCHEMBL30926242 0.88 OPRK1 (0.41) CYP2C9CYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL26695909 0.82 ALDH1A1 (0.42) CYP2C9CYP1A2CYP2C19ALDH1A1LMNA
SCHEMBL15528439 0.82 CYP4F2 (0.37) CYP2C9ALDH1A1LMNAPOLBCYP4F2
SCHEMBL15528303 0.79 ALDH1A1 (0.42) CYP1A2ALDH1A1LMNAPOLBCYP4F2
SCHEMBL18418889 0.79 ALDH1A1 (0.39) CYP1A2ALDH1A1LMNAPOLBCYP4F2
SCHEMBL30079004 0.74 ALDH1A1 (0.39) CYP2C9CYP1A2CYP2C19ALDH1A1LMNA
SCHEMBL31121566 0.74 MAPT (0.38) CYP1A2ALDH1A1LMNAPOLBCYP4F2
SCHEMBL25167833 0.73 CYP1A2 (0.36) CYP1A2ALDH1A1LMNAPOLBCYP4F2
SCHEMBL5401505 0.72 RXRA (0.41) CYP1A2CYP2C19ALDH1A1LMNAPOLB
SCHEMBL1026835 0.72 RXRA (0.45) CYP2C9CYP1A2CYP2C19ALDH1A1LMNA

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 CYP2C9 3725/4885CYP1A2 3508/4885CYP2D6 3339/4885

“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.