SCHEMBL208723

SCHEMBL208723

O=C1N[C]Nc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRA P16234 1/20 0.50
FER P16591 1/20 0.50
LTK P29376 1/20 0.50
CDK8 P49336 1/20 0.50
ACVR1 Q04771 1/20 0.50
LRRK2 Q5S007 1/20 0.50
DYRK1B Q9Y463 1/20 0.50
PDE7A Q13946 1/20 0.45
PDE7B Q9NP56 1/20 0.45
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
TNKS2 Q9H2K2 6/20 0.42
GSK3B P49841 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 6/20 0.38
KDM4E B2RXH2 6/20 0.38
HSD17B10 Q99714 4/20 0.38
HPGD P15428 3/20 0.38
KMT2A Q03164 2/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL20307 0.74
SCHEMBL1926927 0.74
SCHEMBL209272 0.71 PDGFRA (0.44) PDGFRAFERLTKCDK8ACVR1
SCHEMBL2420711 0.70 LRRK2 (0.90) PDGFRAFERLTKCDK8ACVR1
SCHEMBL366728 0.70
SCHEMBL1551702 0.70 MAOA (0.41) PDGFRAFERLTKCDK8ACVR1
SCHEMBL1368292 0.67 LRRK2 (1.00) PDGFRAFERLTKCDK8ACVR1
SCHEMBL19465426 0.67 TNKS2 (0.55) PDGFRAFERLTKCDK8ACVR1
SCHEMBL209077 0.65 MAOA (0.38) PDGFRAFERLTKCDK8ACVR1
Hydrochloric Acid SCHEMBL6299954 0.65 LRRK2 (0.95) PDGFRAFERLTKCDK8ACVR1

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 85 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107001332-B Piperidine derivatives 豪夫迈·罗氏有限公司 2020-05-15 CN claimed
US-20190307737-A1 NOVEL PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2019-10-10 US claimed
EP-3227282-B1 NOVEL PIPERIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2019-04-03 EP claimed
US-10172843-B2 Piperidine derivatives HOFFMANN-LA ROCHE INC. (US) 2019-01-08 US claimed
EP-3227282-A1 NOVEL PIPERIDINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2017-10-11 EP claimed
US-20170266175-A1 NOVEL PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2017-09-21 US claimed
WO-2016087352-A1 NOVEL PIPERIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2016-06-09 WO claimed
EP-0677519-A1 CHROMAN DERIVATIVE AND MEDICINAL USE THEREOF Japan Tobacco Inc. (JP) 1995-10-18 EP claimed
CN-107001332-B Piperidine derivatives 豪夫迈·罗氏有限公司 2020-05-15 CN disclosed
US-20190307737-A1 NOVEL PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2019-10-10 US disclosed
EP-3227282-B1 NOVEL PIPERIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2019-04-03 EP disclosed
US-10172843-B2 Piperidine derivatives HOFFMANN-LA ROCHE INC. (US) 2019-01-08 US disclosed
EP-3227282-A1 NOVEL PIPERIDINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2017-10-11 EP disclosed
US-20170266175-A1 NOVEL PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2017-09-21 US disclosed
EP-1405852-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-04-07 EP disclosed
US-5719155-A CARDIOVASCULAR DISORDERS JAPAN TOBACCO INC. (JP) 1998-02-17 US disclosed
EP-0677519-A1 CHROMAN DERIVATIVE AND MEDICINAL USE THEREOF Japan Tobacco Inc. (JP) 1995-10-18 EP disclosed
US-4522945-A SEROTONINE ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 1985-06-11 US disclosed
US-4335127-A POTENT SEROTONIN ANTAGONISTS JANSSEN PHARMACEUTICA, N.V. (BE) 1982-06-15 US disclosed
EP-0013612-A2 (Piperidinylalkyl)quinazoline derivatives, process for their preparation and pharmaceutical compositions containing them JANSSEN PHARMACEUTICA N.V. (BE) 1980-07-23 EP 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 (3 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-20190307737-A1 NOVEL PIPERIDINE DERIVATIVES ADORA1, ADRA1D, ADORA2B PDGFRA 253/4885FER 2418/4885LTK 4771/4885
US-20170266175-A1 NOVEL PIPERIDINE DERIVATIVES ADORA1, ADRA1D, ADORA2B PDGFRA 253/4885FER 2418/4885LTK 4771/4885
US-10172843-B2 Piperidine derivatives ADRA1D, ADORA1, ADRA1A PDGFRA 90/4885FER 2200/4885LTK 4698/4885

“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.