SCHEMBL13756809

SCHEMBL13756809

Cc1ccc(Nc2ncc3c(n2)N(c2ccc(C(=O)N4CCOCC4)cc2)CC3)cc1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 4/20 0.53
▸ JAK2 O60674 2/20 0.53
▸ CCNA2 P20248 1/20 0.49
▸ CDK2 P24941 1/20 0.49
▸ JAK3 P52333 1/20 0.48
▸ MAPK10 P53779 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ PTK2 Q05397 1/20 0.46
▸ PIK3CA P42336 1/20 0.46
▸ NTRK1 P04629 1/20 0.45
▸ TTK P33981 1/20 0.44
▸ PLK4 O00444 1/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ NPC1 O15118 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ MAPT P10636 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ LMNA P02545 1/20 0.43

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
SCHEMBL13756776 0.91 PDGFRB (0.52) JAK2CCNA2CDK2PIK3CANTRK1
SCHEMBL13756780 0.91 LRRK2 (0.49) LRRK2JAK2CCNA2CDK2PDGFRB
SCHEMBL13756773 0.88 EGFR (0.49) LRRK2JAK2JAK3PTK2MAPT
SCHEMBL13756839 0.86 JAK2 (0.55) LRRK2JAK2CCNA2CDK2MAPK10
SCHEMBL13756842 0.85 NUAK1 (0.45) LRRK2JAK2CCNA2CDK2JAK3
SCHEMBL13756882 0.82 STAT6 (0.53) PIK3CAPLK4MAPTALDH1A1LMNA
SCHEMBL13756766 0.81 NTRK1 (0.49) LRRK2JAK2CCNA2CDK2JAK3
SCHEMBL1655106 0.80 RPS6KA3 (0.54) LRRK2JAK2CCNA2CDK2MAPK10
SCHEMBL13756837 0.78 CDK2 (0.56) LRRK2JAK2CCNA2CDK2NTRK1
SCHEMBL13756838 0.78 GRM5 (0.53) LRRK2JAK2CCNA2CDK2JAK3

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 2/4885CCNA2 958/4885

“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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