SCHEMBL4560602

SCHEMBL4560602

O=[N+]([O-])c1cnn(C2CCOCC2)c1Cl

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE1C Q14123 10/20 0.40
PDE1A P54750 8/20 0.40
PDE1B Q01064 8/20 0.40
PDE4D Q08499 1/20 0.40
LRRK2 Q5S007 1/20 0.38
PDE9A O76083 4/20 0.36
MAPT P10636 2/20 0.36
PKM P14618 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
TXNRD1 Q16881 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
SCHEMBL25420038 0.92 ALDH1A1 (0.39) PDE1CPDE1APDE1BPDE4DLRRK2
SCHEMBL2517797 0.91 PKM (0.39) PKMALDH1A1TXNRD1
SCHEMBL16975516 0.89 ALDH1A1 (0.41) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL31319707 0.88 PKM (0.38) PKMTXNRD1
SCHEMBL22518587 0.86 PKM (0.37) PDE1CPDE1BLRRK2MAPTPKM
SCHEMBL16985370 0.84 MAPT (0.36) MAPTPKMALDH1A1CYP1A2CYP2C9
SCHEMBL22518622 0.84 LRRK2 (0.44) LRRK2PKM
SCHEMBL21087607 0.84 PKM (0.39) MAPTPKMALDH1A1CYP1A2CYP2C9
SCHEMBL30996621 0.84 NR3C1 (0.37) MAPTPKMALDH1A1TXNRD1
SCHEMBL16985276 0.84 LRRK2 (0.38) PDE1CPDE1APDE1BPDE4DLRRK2

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112771032-B Pyrimidine pyrazole compounds as fourth generation EGFR inhibitors 江苏先声药业有限公司 2023-01-03 CN disclosed
CN-113166103-B EGFR inhibitor and application thereof 江苏先声药业有限公司 2022-12-16 CN disclosed
CN-113166103-A EGFR inhibitor and application thereof 江苏先声药业有限公司 2021-07-23 CN disclosed
CN-112771032-A Pyrimidine pyrazole compounds as fourth generation EGFR inhibitors 江苏先声药业有限公司 2021-05-07 CN disclosed
EP-3590933-B1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS GENENTECH INC (US) 2021-01-06 EP disclosed
WO-2020216371-A1 EGFR INHIBITOR AND APPLICATION THEREOF 江苏先声药业有限公司 2020-10-29 WO disclosed
US-10618901-B2 LRRK2 inhibitors for the treatment of Parkinson's disease GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-04-14 US disclosed
EP-3099695-B1 COMPOUNDS GLAXOSMITHKLINE IP DEV LTD (GB) 2020-04-08 EP disclosed
EP-2638031-B9 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS GENENTECH INC (US) 2020-01-08 EP disclosed
EP-3124483-B1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS GENENTECH INC (US) 2019-07-10 EP disclosed
US-8815882-B2 Pyrazole aminopyrimidine derivatives as LRRK2 modulators GENENTECH, INC. (US) 2014-08-26 US disclosed
US-8815882-B2 Pyrazole aminopyrimidine derivatives as LRRK2 modulators GENENTECH, INC. (US) 2014-08-26 US disclosed
US-8815882-B2 Pyrazole aminopyrimidine derivatives as LRRK2 modulators GENENTECH, INC. (US) 2014-08-26 US disclosed
WO-2014113429-A2 SUBSTITUTED PYRROLOPYRIMIDINE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC (US) 2014-07-24 WO disclosed
EP-2638031-A1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2013-09-18 EP disclosed
US-20120157427-A1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2012-06-21 US disclosed
US-20120157427-A1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2012-06-21 US disclosed
US-20120157427-A1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2012-06-21 US disclosed
WO-2012062783-A1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2012-05-18 WO disclosed
WO-2012062783-A1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2012-05-18 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-10618901-B2 LRRK2 inhibitors for the treatment of Parkinson's disease LRRK2, PARK7, PINK1 PDE1C 2985/4885PDE1A 2561/4885PDE1B 2511/4885
US-20120157427-A1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS LRRK2, PARK7, PINK1 PDE1C 3241/4885PDE1A 2310/4885PDE1B 1811/4885

“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.