SCHEMBL883290

SCHEMBL883290

Clc1nccc2[nH]nc(C3CCCCC3)c12

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 12/20 0.37
AURKA O14965 2/20 0.36
JAK2 O60674 2/20 0.36
PRKCA P17252 2/20 0.36
JAK1 P23458 2/20 0.36
TYK2 P29597 2/20 0.36
KDR P35968 2/20 0.36
FLT3 P36888 2/20 0.36
PRKAB2 O43741 1/20 0.32
PRKAG1 P54619 1/20 0.32
PRKAA2 P54646 1/20 0.32
PRKAA1 Q13131 1/20 0.32
PRKAG3 Q9UGI9 1/20 0.32
PRKAG2 Q9UGJ0 1/20 0.32
PRKAB1 Q9Y478 1/20 0.32
GRM4 Q14833 3/20 0.32
KMT2A Q03164 1/20 0.32
CYP1A2 P05177 2/20 0.32

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
SCHEMBL10224611 0.97 LRRK2 (0.35) LRRK2AURKAJAK2PRKCAJAK1
SCHEMBL30228567 0.92 FYN (0.35) LRRK2GRM4KMT2A
SCHEMBL382154 0.92 FYN (0.35) LRRK2GRM4KMT2A
SCHEMBL25256478 0.82 LRRK2 (0.36) LRRK2
SCHEMBL25747927 0.80 LRRK2 (0.34) LRRK2AURKAJAK2PRKCAJAK1
SCHEMBL883678 0.79 LRRK2 (0.56) LRRK2GRM4
SCHEMBL883179 0.77 LRRK2 (0.57) LRRK2
SCHEMBL876184 0.75 LRRK2 (0.62) LRRK2
SCHEMBL441172 0.74 LRRK2 (0.57) LRRK2
SCHEMBL3774724 0.74 LRRK2 (0.40) LRRK2AURKAJAK2PRKCAJAK1

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 1512/4885AURKA 1004/4885JAK2 2080/4885

“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.