SCHEMBL883136

SCHEMBL883136

CC(C)c1n[nH]c2ccnc(NC3CCCCC3)c12

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 16/20 0.60
CDK1 P06493 1/20 0.44
CDK4 P11802 1/20 0.44
CCNB1 P14635 1/20 0.44
CCNA2 P20248 1/20 0.44
CCND1 P24385 1/20 0.44
CCNE1 P24864 1/20 0.44
CDK2 P24941 1/20 0.44
CCND3 P30281 1/20 0.44
CCNA1 P78396 1/20 0.44
CDK6 Q00534 1/20 0.44
EGFR P00533 1/20 0.43
UTS2R Q9UKP6 1/20 0.43
GRM4 Q14833 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
SCHEMBL883178 0.88 LRRK2 (0.67) LRRK2
SCHEMBL416367 0.83 LRRK2 (0.64) LRRK2EGFRUTS2R
SCHEMBL3774857 0.83 LRRK2 (0.64) LRRK2EGFRUTS2R
SCHEMBL3769161 0.81 LRRK2 (0.63) LRRK2EGFRUTS2R
SCHEMBL3778425 0.80 LRRK2 (0.58) LRRK2EGFRUTS2R
SCHEMBL441172 0.79 LRRK2 (0.57) LRRK2EGFRUTS2R
SCHEMBL883179 0.79 LRRK2 (0.57) LRRK2EGFRUTS2R
SCHEMBL3775093 0.79 LRRK2 (0.63) LRRK2EGFRUTS2R
SCHEMBL883678 0.78 LRRK2 (0.56) LRRK2EGFRUTS2RGRM4
SCHEMBL3775348 0.77 LRRK2 (0.69) LRRK2EGFR

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 1512/4885CDK1 2835/4885CDK4 822/4885

“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.