SCHEMBL17076795

SCHEMBL17076795

COc1cc(C2CCN(C(=O)[C@H](C)O)CC2)ccc1N

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
QDPR P09417 2/20 0.55
PDE4B Q07343 16/20 0.52
PDE4A P27815 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46
LMNA P02545 1/20 0.43
ADAM17 P78536 1/20 0.43
ADAMTS5 Q9UNA0 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
SCHEMBL15651488 1.00 QDPR (0.55) QDPRPDE4BPDE4APDE4CPDE4D
SCHEMBL15653074 1.00 QDPR (0.55) QDPRPDE4BPDE4APDE4CPDE4D
SCHEMBL13362034 0.91 QDPR (0.54) QDPRPDE4BPDE4APDE4CPDE4D
SCHEMBL15651303 0.87 PDE4B (0.48) QDPRPDE4BPDE4APDE4CPDE4D
SCHEMBL15653114 0.87 PDE4B (0.48) QDPRPDE4BPDE4APDE4CPDE4D
SCHEMBL15652355 0.87 PDE4B (0.48) QDPRPDE4BPDE4APDE4CPDE4D
SCHEMBL2227613 0.86 QDPR (0.59) QDPRPDE4BPDE4APDE4CPDE4D
SCHEMBL3311407 0.86 QDPR (0.74) QDPRPDE4BPDE4APDE4CPDE4D
SCHEMBL13362111 0.82 QDPR (0.55) QDPRPDE4BPDE4APDE4CPDE4D
SCHEMBL15652563 0.82 QDPR (0.55) QDPRPDE4BPDE4APDE4CPDE4D

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 QDPR 3390/4885PDE4B 2062/4885PDE4A 2056/4885
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS LRRK2, MYLK2, MYLK QDPR 2413/4885PDE4B 1237/4885PDE4A 1139/4885
US-20180305356-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK QDPR 3390/4885PDE4B 2062/4885PDE4A 2056/4885
US-10000482-B2 Kinase inhibitors LRRK2, MYLK2, MYLK QDPR 3201/4885PDE4B 2301/4885PDE4A 2227/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK QDPR 3201/4885PDE4B 2301/4885PDE4A 2227/4885

“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.