SCHEMBL4536359

SCHEMBL4536359

CNc1nc(Nc2cn(C3CCC(F)(F)CC3)nc2C)ncc1C#N

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 20/20 0.51
CYP1A2 P05177 3/20 0.44
TTK P33981 1/20 0.44

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
SCHEMBL9969939 0.90 LRRK2 (0.48) LRRK2CYP1A2TTK
SCHEMBL19445969 0.86 LRRK2 (0.53) LRRK2CYP1A2TTK
SCHEMBL9930430 0.86 LRRK2 (0.56) LRRK2CYP1A2TTK
SCHEMBL4536722 0.84 LRRK2 (0.52) LRRK2CYP1A2TTK
SCHEMBL9284756 0.84 LRRK2 (0.46) LRRK2
SCHEMBL4560277 0.83 LRRK2 (0.49) LRRK2CYP1A2TTK
SCHEMBL4559112 0.82 LRRK2 (0.61) LRRK2CYP1A2
SCHEMBL9287868 0.77 LRRK2 (0.66) LRRK2
SCHEMBL15528273 0.77 LRRK2 (0.70) LRRK2TTK
SCHEMBL4562359 0.77 LRRK2 (0.63) LRRK2CYP1A2TTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2638031-B9 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS GENENTECH INC (US) 2020-01-08 EP claimed
US-20190271658-A1 OXIDIZING AGENT FOR ELECTRON MEDIATOR PHC HOLDINGS CORPORATION (JP) 2019-09-05 US claimed
EP-3531120-A1 OXIDIZING AGENT FOR ELECTRON MEDIATOR PHC Holdings Corporation (JP) 2019-08-28 EP claimed
EP-3343213-A2 SENSOR Panasonic Healthcare Holdings Co., Ltd. (JP) 2018-07-04 EP claimed
EP-2638031-B1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS GENENTECH INC (US) 2017-10-11 EP claimed
EP-3124483-A1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS F. Hoffmann-La Roche AG (CH) 2017-02-01 EP claimed
US-20160061764-A1 SENSOR AND CONCENTRATION MEASUREMENT METHOD PHC HOLDINGS CORPORATION (JP) 2016-03-03 US claimed
US-8815882-B2 Pyrazole aminopyrimidine derivatives as LRRK2 modulators GENENTECH, INC. (US) 2014-08-26 US claimed
EP-2638031-A1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2013-09-18 EP claimed
EP-2474825-A1 SENSOR AND CONCENTRATION MEASUREMENT METHOD Panasonic Corporation (JP) 2012-07-11 EP claimed
US-20120152763-A1 SENSOR AND CONCENTRATION MEASUREMENT METHOD PHC HOLDINGS CORPORATION (JP) 2012-06-21 US claimed
WO-2012062783-A1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2012-05-18 WO claimed
US-11639912-B2 Sensor and concentration measurement method PHC HOLDINGS CORPORATION (JP) 2023-05-02 US disclosed
EP-2623974-B1 SENSOR, SENSOR SYSTEM, AND SENSOR MANUFACTURE PROCESS PHC HOLDINGS CORP (JP) 2022-02-16 EP disclosed
US-20210055250-A1 BIOLOGICAL SUBSTANCE DETECTION SENSOR PHC HOLDINGS CORPORATION (JP) 2021-02-25 US disclosed
EP-3779425-A1 BIOLOGICAL SUBSTANCE DETECTION SENSOR PHC Holdings Corporation (JP) 2021-02-17 EP disclosed
EP-2474825-A1 SENSOR AND CONCENTRATION MEASUREMENT METHOD Panasonic Corporation (JP) 2012-07-11 EP disclosed
US-20120152763-A1 SENSOR AND CONCENTRATION MEASUREMENT METHOD PHC HOLDINGS CORPORATION (JP) 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

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-20190271658-A1 OXIDIZING AGENT FOR ELECTRON MEDIATOR NOX4, LPO, SQOR LRRK2 4709/4885CYP1A2 406/4885TTK 2863/4885
US-20120157427-A1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS LRRK2, PARK7, PINK1 LRRK2 1/4885CYP1A2 3177/4885TTK 2320/4885

“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.