SCHEMBL1749360

SCHEMBL1749360

COC(=O)c1nc(Cl)nc(N[C@H]2CC[C@H](OC)CC2)c1N

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 15/20 0.43
MAPK9 P45984 6/20 0.39
MAPK3 P27361 1/20 0.36
CYP2C9 P11712 1/20 0.35
NPR3 P17342 1/20 0.35
CYP2C19 P33261 1/20 0.35
LRRK2 Q5S007 1/20 0.35
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL1749359 1.00 MAPK8 (0.43) MAPK8MAPK9MAPK3CYP2C9NPR3
SCHEMBL4235637 0.85 LRRK2 (0.47) MAPK3LRRK2NPSR1
SCHEMBL1609288 0.80 NPSR1 (0.40) MAPK8CYP2C9NPR3CYP2C19LRRK2
SCHEMBL1511968 0.76 MAPK8 (0.40) MAPK8MAPK9MAPK3
SCHEMBL12705569 0.76 MAPK8 (0.40) MAPK8MAPK9MAPK3
SCHEMBL1749302 0.74 BTK (0.41) CYP2C9NPR3CYP2C19
SCHEMBL1749305 0.74 BTK (0.41) CYP2C9NPR3CYP2C19
SCHEMBL29173624 0.73 PLAU (0.41) MAPK8CYP2C9NPR3CYP2C19LRRK2
SCHEMBL26684094 0.72 NPSR1 (0.40) CYP2C9NPR3CYP2C19NPSR1
SCHEMBL31507511 0.72 NPSR1 (0.40) CYP2C9NPR3CYP2C19NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8383634-B2 Methods of treatment using heteroaryl compounds and compositions thereof SIGNAL PHARMACEUTICALS, LLC (US) 2013-02-26 US disclosed
US-20110224217-A1 METHODS OF TREATMENT USING HETEROARYL COMPOUNDS AND COMPOSITIONS THEREOF SIGNAL PHARMACEUTICALS, LLC 2011-09-15 US disclosed
US-7968556-B2 Heteroaryl compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2011-06-28 US disclosed
EP-2078018-A1 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND USE THEREOF AS PROTEIN KINASE INHIBITORS Signal Pharmaceuticals LLC (US) 2009-07-15 EP disclosed
US-20090042890-A1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC 2009-02-12 US disclosed
WO-2008051494-A1 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND USE THEREOF AS PROTEIN KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2008-05-02 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 (2 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-20110224217-A1 METHODS OF TREATMENT USING HETEROARYL COMPOUNDS AND COMPOSITIONS THEREOF JAK2, CHEK2, PHKG1 MAPK8 358/4885MAPK9 762/4885MAPK3 216/4885
US-20090042890-A1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith JAK2, CHEK2, SRC MAPK8 244/4885MAPK9 597/4885MAPK3 152/4885

“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.