SCHEMBL9930401

SCHEMBL9930401

CCNc1nc(Nc2cn(-c3ccc(F)cc3)nc2C)ncc1C#N

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 18/20 0.47
SLC34A1 Q06495 1/20 0.44
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CYP1A2 P05177 2/20 0.39
TTK P33981 1/20 0.39

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
SCHEMBL4536590 0.90 LRRK2 (0.47) LRRK2SLC34A1NPC1RAB9ACYP1A2
SCHEMBL4541785 0.80 LRRK2 (0.58) LRRK2CYP1A2TTK
SCHEMBL9930214 0.80 LRRK2 (0.47) LRRK2CYP1A2TTK
SCHEMBL4542042 0.80 LRRK2 (0.47) LRRK2CYP1A2TTK
SCHEMBL4542804 0.79 LRRK2 (0.48) LRRK2CYP1A2TTK
SCHEMBL15528082 0.77 LRRK2 (0.73) LRRK2CYP1A2TTK
SCHEMBL5020930 0.76 LRRK2 (0.47) LRRK2SLC34A1CYP1A2TTK
SCHEMBL4539038 0.76 LRRK2 (0.47) LRRK2SLC34A1CYP1A2TTK
SCHEMBL9288021 0.74 LRRK2 (0.55) LRRK2
SCHEMBL9281373 0.74 LRRK2 (0.47) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8815882-B2 Pyrazole aminopyrimidine derivatives as LRRK2 modulators GENENTECH, INC. (US) 2014-08-26 US disclosed
US-20120157427-A1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2012-06-21 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 (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-20120157427-A1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS LRRK2, PARK7, PINK1 LRRK2 1/4885SLC34A1 1310/4885NPC1 2487/4885

“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.