SCHEMBL875098

SCHEMBL875098

COc1nccc2c1c(-c1ccnc(Cl)c1)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.36
ADORA1 P30542 1/20 0.36
MAPK1 P28482 1/20 0.35
LRRK2 Q5S007 7/20 0.34
CACNA1B Q00975 1/20 0.32
ROCK2 O75116 1/20 0.32
RORB Q92753 2/20 0.32
RORC P51449 1/20 0.32
ACSS2 Q9NR19 1/20 0.32
PTGS2 P35354 1/20 0.31
PDE10A Q9Y233 1/20 0.31
CYP1A1 P04798 1/20 0.30
CYP1B1 Q16678 1/20 0.30

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
SCHEMBL876162 0.88 MAPT (0.36) MAPK1LRRK2ACSS2PTGS2
SCHEMBL875506 0.83 LRRK2 (0.54) LRRK2
SCHEMBL876696 0.81 LRRK2 (0.42) LRRK2
SCHEMBL874917 0.80 MAPK1 (0.35) MAPK1LRRK2ROCK2ACSS2
SCHEMBL883624 0.79 LRRK2 (0.40) ADORA2AADORA1LRRK2PDE10ACYP1A1
SCHEMBL13834208 0.78 LRRK2 (0.58) MAPK1LRRK2
SCHEMBL16965771 0.77 MAPK1 (0.39) ADORA2AMAPK1ACSS2PDE10A
SCHEMBL875386 0.77 MAPK1 (0.37) MAPK1ACSS2
SCHEMBL875083 0.76 LRRK2 (0.47) MAPK1LRRK2
SCHEMBL17084231 0.74 MAPK1 (0.37) MAPK1ACSS2

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 4 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

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 ADORA2A 2217/4885ADORA1 2350/4885MAPK1 3502/4885

“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.