SCHEMBL13756780

SCHEMBL13756780

COc1cc(Nc2ncc3c(n2)N(c2ccc(C(=O)N4CCOCC4)cc2)CC3)ccc1C

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 14/20 0.49
▸ JAK2 O60674 3/20 0.49
▸ MAP3K9 P80192 1/20 0.48
▸ MKNK2 Q9HBH9 1/20 0.48
▸ PKMYT1 Q99640 1/20 0.48
▸ PDGFRB P09619 2/20 0.47
▸ KDR P35968 1/20 0.47
▸ CCNA2 P20248 1/20 0.46
▸ CDK2 P24941 1/20 0.46

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
SCHEMBL13756809 0.91 LRRK2 (0.53) LRRK2JAK2PDGFRBCCNA2CDK2
SCHEMBL13756839 0.83 JAK2 (0.55) LRRK2JAK2MKNK2CCNA2CDK2
SCHEMBL13756776 0.82 PDGFRB (0.52) JAK2PDGFRBCCNA2CDK2
SCHEMBL1654515 0.81 PTK2 (0.59) LRRK2JAK2MAP3K9MKNK2PDGFRB
SCHEMBL13756842 0.80 NUAK1 (0.45) LRRK2JAK2CCNA2CDK2
SCHEMBL13756773 0.79 EGFR (0.49) LRRK2JAK2PKMYT1
SCHEMBL13756766 0.77 NTRK1 (0.49) LRRK2JAK2CCNA2CDK2
SCHEMBL13756837 0.75 CDK2 (0.56) LRRK2JAK2PDGFRBCCNA2CDK2
SCHEMBL13756838 0.75 GRM5 (0.53) LRRK2JAK2CCNA2CDK2
SCHEMBL13756697 0.75 CSF1R (0.41) LRRK2JAK2CCNA2CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090203688-A1 HETEROCYCLIC COMPOUNDS NOVARTIS AG 2009-08-13 — — 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-20090203688-A1 HETEROCYCLIC COMPOUNDS ABL1, JAK2, JAK1 LRRK2 440/4885JAK2 2/4885MAP3K9 27/4885

“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.

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