SCHEMBL883179

SCHEMBL883179

c1cc2[nH]nc(C3CCCCC3)c2c(NC2CCCCC2)n1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 18/20 0.57
UTS2R Q9UKP6 1/20 0.45
EGFR P00533 1/20 0.42

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
SCHEMBL883678 0.99 LRRK2 (0.56) LRRK2UTS2REGFR
SCHEMBL441172 0.97 LRRK2 (0.57) LRRK2UTS2REGFR
SCHEMBL878305 0.91 LRRK2 (0.59) LRRK2UTS2R
SCHEMBL883177 0.84 LRRK2 (0.63) LRRK2UTS2R
SCHEMBL3778425 0.82 LRRK2 (0.58) LRRK2UTS2REGFR
SCHEMBL3774857 0.82 LRRK2 (0.64) LRRK2UTS2REGFR
SCHEMBL416367 0.82 LRRK2 (0.64) LRRK2UTS2REGFR
SCHEMBL3769161 0.81 LRRK2 (0.63) LRRK2UTS2REGFR
SCHEMBL883136 0.79 LRRK2 (0.60) LRRK2UTS2REGFR
SCHEMBL3776200 0.78 LRRK2 (0.69) LRRK2UTS2R

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
US-8569281-B2 Compounds and their administration for treating a neurodegenerative disease as well as a method for identifying a compound capable of inhibiting a kinase, such as LRRK MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2013-10-29 US disclosed
US-20120295883-A1 COMPOUNDS GENENTECH, INC. (US) 2012-11-22 US disclosed
US-20120295883-A1 COMPOUNDS GENENTECH, INC. (US) 2012-11-22 US disclosed
US-20120295883-A1 COMPOUNDS GENENTECH, INC. (US) 2012-11-22 US disclosed
WO-2012038743-A1 PYRAZOLOPYRIDINES AS INHIBITORS OF THE KINASE LRRK2 MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2012-03-29 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-20120295883-A1 COMPOUNDS ABCC5, PRNP, PC LRRK2 1512/4885UTS2R 4142/4885EGFR 2451/4885

“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.