SCHEMBL1917374

SCHEMBL1917374

O=C1Nc2ccccc2[C]1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 2/20 0.61
▸ MAOA P21397 1/20 0.61
▸ MAOB P27338 1/20 0.61
▸ PDGFRA P16234 1/20 0.61
▸ FER P16591 1/20 0.61
▸ LTK P29376 1/20 0.61
▸ CDK8 P49336 1/20 0.61
▸ ACVR1 Q04771 1/20 0.61
▸ DYRK1B Q9Y463 1/20 0.61
▸ ALDH1A1 P00352 3/20 0.53
▸ MAPT P10636 3/20 0.53
▸ NPSR1 Q6W5P4 2/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ PKM P14618 1/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ PLK4 O00444 3/20 0.51
▸ PLK1 P53350 3/20 0.51
▸ RET P07949 1/20 0.51
▸ FLT3 P36888 1/20 0.51
▸ PDGFRB P09619 1/20 0.51

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
SCHEMBL2420711 0.80 LRRK2 (0.90) LRRK2MAOAMAOBPDGFRAFER
SCHEMBL366728 0.80 — —
SCHEMBL28886187 0.77 LRRK2 (0.75) LRRK2MAOAMAOBPDGFRAFER
Isoindigo SCHEMBL9899740 0.76 LRRK2 (0.67) LRRK2MAOAMAOBPDGFRAFER
Isoindigo SCHEMBL12386233 0.76 LRRK2 (0.67) LRRK2MAOAMAOBPDGFRAFER
Isatin SCHEMBL973760 0.76 MAOA (1.00) LRRK2MAOAMAOBPDGFRAFER
Isoindigo SCHEMBL9899736 0.76 LRRK2 (0.67) LRRK2MAOAMAOBPDGFRAFER
SCHEMBL1368292 0.76 LRRK2 (1.00) LRRK2MAOAMAOBPDGFRAFER
Isatin SCHEMBL34016 0.76 MAOA (1.00) LRRK2MAOAMAOBPDGFRAFER
Isoindigo SCHEMBL29349649 0.76 LRRK2 (0.67) LRRK2MAOAMAOBPDGFRAFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2090571-B1 Pyrimidine derivates, medicaments comprising them, their use and process of their preparation BOEHRINGER INGELHEIM PHARMA (DE) 2012-05-16 — — EP claimed
EP-2332924-A1 Pyrimidine derivates, medicaments comprising them, their use and process of their preparation Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2011-06-15 — — EP claimed
JP-4460292-B2 — — 2010-05-12 — — JP claimed
US-7709480-B2 Pyrimidine derivatives BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-05-04 — — US claimed
EP-2090571-A1 Pyrimidine derivates, medicaments comprising them, their use and process of their preparation Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2009-08-19 — — EP claimed
EP-1438053-B1 PYRIMIDINE DERIVATIVES, PHARMACEUTICAL AGENT CONTAINING SAID COMPOUNDS, USE AND METHOD FOR MAKING SAME BOEHRINGER INGELHEIM PHARMA (DE) 2008-09-10 — — EP claimed
US-7173028-B2 Pyrimidine derivatives BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-02-06 — — US claimed
US-20070015918-A1 Derivatives of 1,3-diones having a herbicidal activity ISAGRO RICERCA S.R.L (IT) 2007-01-18 — — US claimed
CN-1882552-A Derivatives of 1,3-diones having a herbicidal activity ISAGRO RICERCA SRL (IT) 2006-12-20 — — CN claimed
EP-1670772-A1 DERIVATIVES OF 1,3-DIONES HAVING A HERBICIDAL ACTIVITY Isagro Ricerca S.r.l. (IT) 2006-06-21 — — EP claimed
US-20060100211-A1 Pyrimidine derivatives BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-05-11 — — US claimed
JP-2005509624-A — — 2005-04-14 — — JP claimed
WO-2005030736-A1 DERIVATIVES OF 1,3-DIONES HAVING A HERBICIDAL ACTIVITY ISAGRO RICERCA S.R.L. (IT) 2005-04-07 — — WO claimed
EP-1438053-A1 PYRIMIDINE DERIVATIVES, PHARMACEUTICAL AGENT CONTAINING SAID COMPOUNDS, USE AND METHOD FOR MAKING SAME Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2004-07-21 — — EP claimed
US-20030171359-A1 Suitable for treatment of illnesses characterised by excessive or abnormal cell proliferation; viral, bacterial, fungal and/or parasitic infections, skin diseases, bone diseases, cardiovascular diseases BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-09-11 — — US claimed
WO-2003032997-A1 PYRIMIDINE DERIVATIVES, PHARMACEUTICAL AGENT CONTAINING SAID COMPOUNDS, USE AND METHOD FOR MAKING SAME BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-04-24 — — WO claimed
EP-2684874-B1 Fused bicyclic derivatives of 2,4-diaminopyrimidine as alk and C-met inhibitors CEPHALON INC (US) 2017-05-17 — — EP disclosed
EP-2222647-B1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS CEPHALON INC (US) 2015-08-05 — — EP disclosed
US-20030171359-A1 Suitable for treatment of illnesses characterised by excessive or abnormal cell proliferation; viral, bacterial, fungal and/or parasitic infections, skin diseases, bone diseases, cardiovascular diseases BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-09-11 — — US disclosed
WO-2003032997-A1 PYRIMIDINE DERIVATIVES, PHARMACEUTICAL AGENT CONTAINING SAID COMPOUNDS, USE AND METHOD FOR MAKING SAME BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-04-24 — — WO 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-20060100211-A1 Pyrimidine derivatives TYMP, TYMS, DPYD LRRK2 2772/4885MAOA 1800/4885MAOB 1408/4885
US-20030171359-A1 Suitable for treatment of illnesses characterised by excessive or abnormal cell proliferation; viral, bacterial, fungal and/or parasitic infections, skin diseases, bone diseases, cardiovascular diseases COL1A1, MKI67, INSR LRRK2 3765/4885MAOA 1170/4885MAOB 1029/4885
US-20070015918-A1 Derivatives of 1,3-diones having a herbicidal activity DDT, CYP1B1, CYP51A1 LRRK2 3682/4885MAOA 454/4885MAOB 547/4885

“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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