SCHEMBL14716614

SCHEMBL14716614

CC(C)n1nc(I)c2c(C(=O)O)cc(-c3cn[nH]c3)cc21

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 2/20 0.34
ROCK2 O75116 11/20 0.34
GSK3B P49841 1/20 0.33
DYRK1A Q13627 1/20 0.33
ROCK1 Q13464 2/20 0.32
HSP90AA1 P07900 1/20 0.32
KDM4E B2RXH2 2/20 0.32
KMT2A Q03164 1/20 0.32
ERN1 O75460 1/20 0.32
PIK3CA P42336 1/20 0.31
MTOR P42345 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
SCHEMBL2588507 0.87 MTOR (0.38) LRRK2ROCK2GSK3BDYRK1AROCK1
SCHEMBL2594243 0.78 KDM4E (0.46) LRRK2ROCK2GSK3BDYRK1AKDM4E
SCHEMBL2592086 0.76 ROCK2 (0.40) LRRK2ROCK2GSK3BDYRK1AROCK1
SCHEMBL2594853 0.70 LRRK2 (0.42) LRRK2GSK3BDYRK1AKDM4EKMT2A
SCHEMBL2593480 0.69 IRAK4 (0.41) LRRK2ROCK2GSK3BDYRK1AROCK1
SCHEMBL2594202 0.68 KDM4E (0.41) KDM4EPIK3CAMTOR
SCHEMBL1694725 0.65 KDM4E (0.56) ROCK2KDM4EKMT2A
SCHEMBL21359417 0.64 MCL1 (0.47) ROCK2ROCK1
SCHEMBL2594655 0.64 PIK3CA (0.48) LRRK2ROCK2ROCK1PIK3CAMTOR
SCHEMBL3506781 0.62 AKT1 (0.48) ROCK2ROCK1ERN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8846935-B2 Indazoles GLAXOSMITHKLINE LLC (US) 2014-09-30 US disclosed
US-20130053383-A1 INDAZOLES GLAXOSMITHKLINE LLC 2013-02-28 US 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-20130053383-A1 INDAZOLES IDH3A, CYP3A7, IDH3B LRRK2 2947/4885ROCK2 1949/4885GSK3B 2146/4885

“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.