SCHEMBL17076663

SCHEMBL17076663

COc1cc2c(=O)n(C)ncc2cc1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 1/20 0.47
▸ S100B P04271 1/20 0.44
▸ GAA P10253 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ GLA P06280 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ CASP1 P29466 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ CASP7 P55210 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ TTR P02766 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ PKM P14618 1/20 0.35
▸ KDR P35968 2/20 0.35
▸ PLK4 O00444 1/20 0.35
▸ PRKD3 O94806 1/20 0.35
▸ MAP4K4 O95819 1/20 0.35

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
SCHEMBL29702360 0.87 LRRK2 (0.50) LRRK2GAAALDH1A1KDM4EGLA
SCHEMBL26100427 0.87 LRRK2 (0.50) LRRK2GAAALDH1A1KDM4EGLA
SCHEMBL25213735 0.82 LRRK2 (0.47) LRRK2GAAALDH1A1KDM4EGLA
SCHEMBL29380274 0.82 LRRK2 (0.47) LRRK2GAAALDH1A1KDM4EGLA
SCHEMBL29702221 0.81 LRRK2 (0.48) LRRK2GAAALDH1A1KDM4EGLA
SCHEMBL25419464 0.79 LRRK2 (0.45) LRRK2GAAALDH1A1KDM4EGLA
SCHEMBL31083319 0.79 LRRK2 (0.44) LRRK2GAAALDH1A1KDM4EGLA
SCHEMBL31251314 0.78 S100B (0.49) S100BGAAALDH1A1KDM4EGLA
SCHEMBL29702280 0.72 LRRK2 (0.40) LRRK2GAAALDH1A1KDM4EGLA
SCHEMBL29702191 0.72 BRD4 (0.47) LRRK2

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-10752624-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2020-08-25 — — US disclosed
US-20180305356-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2018-10-25 — — US disclosed
US-10000482-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2018-06-19 — — US disclosed
US-9637491-B2 Pyrazolo[4,3-D]pyrimidines as kinase inhibitors ORIGENIS GMBH (DE) 2017-05-02 — — US disclosed
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-24 — — US disclosed
US-20150259340-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-17 — — 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 (5 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-20150259340-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK LRRK2 1/4885S100B 3530/4885GAA 742/4885
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS LRRK2, MYLK2, MYLK LRRK2 1/4885S100B 3982/4885GAA 940/4885
US-20180305356-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK LRRK2 1/4885S100B 3530/4885GAA 742/4885
US-10000482-B2 Kinase inhibitors LRRK2, MYLK2, MYLK LRRK2 1/4885S100B 3483/4885GAA 698/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK LRRK2 1/4885S100B 3483/4885GAA 698/4885

“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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