SCHEMBL1551702

SCHEMBL1551702

O=C1[C]Nc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.41
MAOB P27338 2/20 0.41
PDGFRA P16234 1/20 0.41
FER P16591 1/20 0.41
LTK P29376 1/20 0.41
CDK8 P49336 1/20 0.41
ACVR1 Q04771 1/20 0.41
LRRK2 Q5S007 1/20 0.41
DYRK1B Q9Y463 1/20 0.41
GSK3B P49841 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
CDC25B P30305 3/20 0.38
PDE7A Q13946 1/20 0.38
PDE7B Q9NP56 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.36
KDM4E B2RXH2 3/20 0.36
MAPT P10636 3/20 0.36
LMNA P02545 2/20 0.36
POLB P06746 2/20 0.36

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
SCHEMBL208723 0.70 PDGFRA (0.50) MAOAMAOBPDGFRAFERLTK
SCHEMBL898371 0.68 LRRK2 (0.48) MAOAMAOBPDGFRAFERLTK
SCHEMBL6198503 0.67 MAPT (0.48) MEN1KMT2ASMN1; SMN2KDM4EMAPT
SCHEMBL3354049 0.67 MAOA (0.38) MAOAMAOBPDGFRAFERLTK
SCHEMBL209077 0.67 MAOA (0.38) MAOAMAOBPDGFRAFERLTK
SCHEMBL38764 0.67 ACVR1 (0.41) MAOAMAOBPDGFRAFERLTK
SCHEMBL3544499 0.66 LRRK2 (0.45) MAOAMAOBPDGFRAFERLTK
SCHEMBL209272 0.64 PDGFRA (0.44) MAOAMAOBPDGFRAFERLTK
SCHEMBL2419975 0.64 GSK3B (0.46) MAOAMAOBPDGFRAFERLTK
SCHEMBL2095985 0.62 KMT2A (0.50) MAOAMAOBGSK3BMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-2552216-B1 DERIVATIVES OF 1-AMINO-2-CYCLOPROPYLETHYLBORONIC ACID MILLENNIUM PHARM INC (US) 2018-01-24 EP 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
US-9023832-B2 Derivatives of 1-amino-2-cyclopropylethylboronic acid MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-05-05 US claimed
US-20140179631-A1 DERIVATIVES OF 1-AMINO-2-CYCLOPROPYLETHYLBORONIC ACID MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-06-26 US claimed
US-8513218-B2 Derivatives of 1-amino-2-cyclopropylethylboronic acid MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-08-20 US claimed
US-20040242608-A1 Substituted pyrimidinones PHARMACIA LLC 2004-12-02 US claimed
EP-1470112-A1 SUBSTITUTED PYRIDAZINONES AS INHIBITORS OF P38 Pharmacia Corporation (US) 2004-10-27 EP claimed
WO-2004087677-A2 PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE AS P38 KINASE MODULATORS PHARMACIA CORPORATION (US) 2004-10-14 WO claimed
US-20040142932-A1 Substituted pyridazinones PHARMACIA CORPORATION 2004-07-22 US claimed
EP-1042315-B1 CYCLIC IMIDE-SUBSTITUTED PYRIDYLALKANE, ALKENE, AND ALKINE CARBOXAMIDES USEFUL AS CYTOSTATIC AND IMMUNOSUPPRESSIVE AGENTS KLINGE CO CHEM PHARM FAB (DE) 2004-04-14 EP claimed
US-20040058964-A1 Substituted pyridinones PHARMACIA LLC 2004-03-25 US claimed
WO-2003068230-A1 SUBSTITUTED PYRIDINONES AS MODULATORS OF P38 MAP KINASE PHARMACIA CORPORATION (US) 2003-08-21 WO claimed
WO-2003059891-A1 SUBSTITUTED PYRIDAZINONES AS INHIBITORS OF P38 PHARMACIA CORPORATION (US) 2003-07-24 WO claimed
EP-1042315-A1 CYCLIC IMIDE-SUBSTITUTED PYRIDYLALKANE, ALKENE, AND ALKINE CARBOXAMIDES USEFUL AS CYTOSTATIC AND IMMUNOSUPPRESSIVE AGENTS Klinge Pharma GmbH (DE) 2000-10-11 EP claimed
WO-1999031087-A1 CYCLIC IMIDE-SUBSTITUTED PYRIDYLALKANE, ALKENE AND ALKINE CARBOXAMIDES USEFUL AS CYTOSTATIC AND IMMUNOSUPPRESSIVE AGENTS KLINGE PHARMA GMBH (DE) 1999-06-24 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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 MAOA 763/4885MAOB 837/4885PDGFRA 253/4885
US-20040058964-A1 Substituted pyridinones MAPK1, MAPK6, MAPK7 MAOA 1401/4885MAOB 743/4885PDGFRA 567/4885
US-20140179631-A1 DERIVATIVES OF 1-AMINO-2-CYCLOPROPYLETHYLBORONIC ACID PSMB6, PSMB5, PSMB1 MAOA 1451/4885MAOB 813/4885PDGFRA 2684/4885
US-20170266175-A1 NOVEL PIPERIDINE DERIVATIVES ADORA1, ADRA1D, ADORA2B MAOA 763/4885MAOB 837/4885PDGFRA 253/4885
US-20040242608-A1 Substituted pyrimidinones MAPK1, MAPK7, MAP3K8 MAOA 2498/4885MAOB 1814/4885PDGFRA 181/4885
US-10172843-B2 Piperidine derivatives ADRA1D, ADORA1, ADRA1A MAOA 561/4885MAOB 510/4885PDGFRA 90/4885
US-20040142932-A1 Substituted pyridazinones MAP4K2, MAPK6, MAP3K6 MAOA 953/4885MAOB 677/4885PDGFRA 466/4885

“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.