SCHEMBL299951

SCHEMBL299951

C=CC[N]c1ccccn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 4/20 0.42
ADRA2B P18089 4/20 0.42
ADRA2C P18825 4/20 0.42
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
PLAU P00749 1/20 0.42
NOS3 P29474 2/20 0.38
NOS1 P29475 2/20 0.38
NOS2 P35228 2/20 0.38
RAB9A P51151 3/20 0.37
NPC1 O15118 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ATM Q13315 1/20 0.37
MAPT P10636 3/20 0.35
ALDH1A1 P00352 1/20 0.35
HSD17B10 Q99714 1/20 0.35
LMNA P02545 2/20 0.35
TP53 P04637 1/20 0.35
NFKB1 P19838 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
SCHEMBL4991454 0.74
SCHEMBL1629938 0.72
SCHEMBL7418410 0.72 HSP90AA1 (0.37) SMN1; SMN2
SCHEMBL9302384 0.72 SLC2A1 (0.40) ADRA2AADRA2BADRA2CMAOAMAOB
SCHEMBL3194915 0.71
SCHEMBL5301101 0.71 PDE10A (0.43) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL7713660 0.69 NOS3 (0.46) ADRA2AADRA2BADRA2CMAOAMAOB
SCHEMBL1850348 0.69 ADRA2A (0.48) ADRA2AADRA2BADRA2CMAOAMAOB
SCHEMBL7047083 0.69 MAOA (0.48) ADRA2AADRA2BADRA2CMAOAMAOB
SCHEMBL4913250 0.69 NR4A1 (0.52) MAOAMAOBRAB9ANPC1MEN1

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 79 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
US-7709480-B2 Pyrimidine derivatives BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-05-04 US 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-20060128684-A1 Anthranilic acid amide derivatives and their pharmaceutical use BOLD GUIDO 2006-06-15 US claimed
US-20060100211-A1 Pyrimidine derivatives BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-05-11 US claimed
CN-1764380-A N-phenyl- (4-pyridyl)- azinyl!amine derivatives as plant protection agents. SYNGENTA PARTICIPATIONS AG (CH) 2006-04-26 CN claimed
CN-1720244-A Anthranilic acid amide derivatives and their pharmaceutical use NOVARTIS AG (CH) 2006-01-11 CN claimed
EP-1572686-A1 ANTHRANILIC ACID AMIDE DERIVATIVES AND THEIR PHARMACEUTICAL USE Novartis AG (CH) 2005-09-14 EP claimed
CN-1522256-A Novel substituted tetracyclic imidazole derivatives, processes for their preparation, pharamaceutical compositions comprising them and their use as a medicine 詹森药业有限公司 2004-08-18 CN claimed
WO-2004052884-A1 ANTHRANILIC ACID AMIDE DERIVATIVES AND THEIR PHARMACEUTICAL USE NOVARTIS AG (CH) 2004-06-24 WO 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
CN-1334798-A Phenylglycine derivatives HOFFMANN LA ROCHE (CH) 2002-02-06 CN claimed
EP-0509354-B1 Amino acid derivatives HOFFMANN LA ROCHE (CH) 2000-08-23 EP claimed
US-20140142145-A1 COMBINATIONS COMPRISING A DIPEPTIDYLPEPTIDASE - IV INHIBITOR BALKAN BORK (US) 2014-05-22 US disclosed
US-20130122008-A1 Anti-IL 1- ß Antibody Combination Therapy NOVARTIS AG 2013-05-16 US disclosed
US-8420630-B2 Pyrimidine derivatives BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2013-04-16 US disclosed
US-4996318-A Amino-9,10-secosteroids useful for treating head injury, spinal cord trauma or stroke THE UPJOHN COMPANY (US) 1991-02-26 US disclosed
EP-0354920-A1 AMINO-9,10-SECOSTEROIDS THE UPJOHN COMPANY (US) 1990-02-21 EP disclosed
WO-1988007527-A1 AMINO-9,10-SECOSTEROIDS THE UPJOHN COMPANY (US) 1988-10-06 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 (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-20060100211-A1 Pyrimidine derivatives TYMP, TYMS, DPYD ADRA2A 2080/4885ADRA2B 2070/4885ADRA2C 2110/4885
US-20140142145-A1 COMBINATIONS COMPRISING A DIPEPTIDYLPEPTIDASE - IV INHIBITOR DPP4, DPP7, DPP3 ADRA2A 2511/4885ADRA2B 2642/4885ADRA2C 2176/4885
US-20130122008-A1 Anti-IL 1- ß Antibody Combination Therapy G6PC1, FBP1, GCKR ADRA2A 1050/4885ADRA2B 1194/4885ADRA2C 795/4885
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 ADRA2A 1425/4885ADRA2B 1450/4885ADRA2C 1337/4885
US-20060128684-A1 Anthranilic acid amide derivatives and their pharmaceutical use AADAC, AADAT, NAAA ADRA2A 792/4885ADRA2B 1993/4885ADRA2C 1726/4885

“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.