SCHEMBL877995

SCHEMBL877995

CCn1cc(-c2nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c3ccnc(OC(C)C)c23)cn1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACSS2 Q9NR19 2/20 0.35
LRRK2 Q5S007 5/20 0.34
KDM5B Q9UGL1 1/20 0.33
PIM1 P11309 5/20 0.33
JAK3 P52333 2/20 0.32
SYK P43405 1/20 0.32
ATR Q13535 1/20 0.32
RET P07949 1/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
BTK Q06187 1/20 0.32
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
TYK2 P29597 1/20 0.31

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
SCHEMBL13966411 0.82 TTK (0.37) LRRK2KDM5BPIM1JAK3SYK
SCHEMBL883230 0.81 LRRK2 (0.36) LRRK2KDM5BPIM1ATR
SCHEMBL875513 0.78 LRRK2 (0.59) LRRK2JAK3JAK2JAK1TYK2
SCHEMBL877947 0.76 LRRK2 (0.58) LRRK2JAK3JAK2JAK1TYK2
SCHEMBL10225766 0.75 LRRK2 (0.39) LRRK2
SCHEMBL878421 0.75 LRRK2 (0.48) LRRK2
SCHEMBL875603 0.75 LRRK2 (0.36) LRRK2
SCHEMBL10225768 0.73 LRRK2 (0.47) LRRK2RET
SCHEMBL10225769 0.73 LRRK2 (0.46) LRRK2
SCHEMBL13834218 0.73 LRRK2 (0.33) LRRK2

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
EP-2619201-A1 PYRAZOLOPYRIDINES AS INHIBITORS OF THE KINASE LRRK2 Medical Research Council Technology (GB) 2013-07-31 EP 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
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 ACSS2 1475/4885LRRK2 1512/4885KDM5B 1379/4885

“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.