SCHEMBL3307656

SCHEMBL3307656

Oc1cc(-c2ccccc2)nc(-c2ccccc2)n1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.68
KMT2A Q03164 8/20 0.68
NTSR1 P30989 1/20 0.68
ADORA1 P30542 8/20 0.59
ADORA2A P29274 6/20 0.59
HPGD P15428 7/20 0.57
ALDH1A1 P00352 6/20 0.57
MAPT P10636 5/20 0.57
MAPK1 P28482 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
ADORA3 P0DMS8 5/20 0.50
KDM4E B2RXH2 3/20 0.49
LMNA P02545 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
CYP2C19 P33261 1/20 0.49
GLA P06280 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ADORA2B P29275 1/20 0.46

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
SCHEMBL4803909 0.92 KMT2A (0.59) MEN1KMT2ANTSR1ADORA1ADORA2A
SCHEMBL4808050 0.89 MEN1 (0.61) MEN1KMT2ANTSR1ADORA1ADORA2A
SCHEMBL10968230 0.89 MEN1 (0.61) MEN1KMT2ANTSR1ADORA1ADORA2A
SCHEMBL3165362 0.89 MEN1 (0.57) MEN1KMT2ANTSR1ADORA1ADORA2A
SCHEMBL18760499 0.89 MEN1 (0.57) MEN1KMT2ANTSR1ADORA1ADORA2A
SCHEMBL20870697 0.87 MEN1 (0.53) MEN1KMT2ANTSR1ADORA1ADORA2A
SCHEMBL2118725 0.84 MEN1 (0.59) MEN1KMT2ANTSR1ADORA1ADORA2A
SCHEMBL6535265 0.84 MEN1 (0.50) MEN1KMT2ANTSR1ADORA1ADORA2A
SCHEMBL19762220 0.84 MEN1 (0.50) MEN1KMT2ANTSR1ADORA1ADORA2A
SCHEMBL10168729 0.84 CYP19A1 (0.62) MEN1KMT2ANTSR1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1796673-A2 NOVEL PYRIMIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM Reddy US Therapeutics, Inc. (US) 2007-06-20 EP claimed
US-20060084645-A1 Novel pyrimidine compounds, process for their preparation and compositions containing them DR. REDDY'S LABORATORIES LTD. (IN) 2006-04-20 US claimed
WO-2006034473-A2 NOVEL PYRIMIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM REDDY US THERAPEUTICS, INC. (US) 2006-03-30 WO claimed
CN-105254637-A PYRIMIDINE SUBSTITUTED MACROCYCLIC INHIBITORS JANSSEN R & D IRELAND 2016-01-20 CN disclosed
EP-2118091-B1 PYRIMIDINE SUBSTITUTED MACROCYCLIC HCV INHIBITORS JANSSEN SCIENCES IRELAND UC (IE) 2015-04-15 EP disclosed
EP-2118091-B1 PYRIMIDINE SUBSTITUTED MACROCYCLIC HCV INHIBITORS JANSSEN SCIENCES IRELAND UC (IE) 2015-04-15 EP disclosed
US-8937080-B2 Pyrimidine substituted macrocyclic HCV inhibitors MEDIVIR AB (SE) 2015-01-20 US disclosed
US-8937080-B2 Pyrimidine substituted macrocyclic HCV inhibitors MEDIVIR AB (SE) 2015-01-20 US disclosed
US-8937080-B2 Pyrimidine substituted macrocyclic HCV inhibitors MEDIVIR AB (SE) 2015-01-20 US disclosed
US-7820654-B2 Pyrimidine compounds, process for their preparation and compositions containing them DR. REDDY'S LABORATORIES LTD. (IN) 2010-10-26 US disclosed
US-7820654-B2 Pyrimidine compounds, process for their preparation and compositions containing them DR. REDDY'S LABORATORIES LTD. (IN) 2010-10-26 US disclosed
WO-2008095999-A1 PYRIMIDINE SUBSTITUTED MACROCYCLIC HCV INHIBITORS TIBOTEC PHARMACEUTICALS LTD. (IE) 2008-08-14 WO disclosed
WO-2008095999-A1 PYRIMIDINE SUBSTITUTED MACROCYCLIC HCV INHIBITORS TIBOTEC PHARMACEUTICALS LTD. (IE) 2008-08-14 WO disclosed
EP-1796673-A2 NOVEL PYRIMIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM Reddy US Therapeutics, Inc. (US) 2007-06-20 EP disclosed
US-20070032510-A1 Substituted pyrimidines as ligands of adenosine receptors UNIVERSITEIT LEIDEN (NL) 2007-02-08 US disclosed
EP-1667985-A1 SUBSTITUTED PYRIMIDINES AS LIGANDS OF ADENOSINE RECEPTORS Universiteit Leiden (NL) 2006-06-14 EP disclosed
US-20060084645-A1 Novel pyrimidine compounds, process for their preparation and compositions containing them DR. REDDY'S LABORATORIES LTD. (IN) 2006-04-20 US disclosed
WO-2006034473-A2 NOVEL PYRIMIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM REDDY US THERAPEUTICS, INC. (US) 2006-03-30 WO disclosed
WO-2005033084-A1 SUBSTITUTED PYRIMIDINES AS LIGANDS OF ADENOSINE RECEPTORS UNIVERSITEIT LEIDEN (NL) 2005-04-14 WO disclosed
US-20040110780-A1 Pyrimidine derivatives useful in the treatment of insulin resistance and hyperglycemia WYETH 2004-06-10 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 (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-20060084645-A1 Novel pyrimidine compounds, process for their preparation and compositions containing them UMPS, DPYD, TYMS MEN1 4470/4885KMT2A 4623/4885NTSR1 3269/4885
US-20040110780-A1 Pyrimidine derivatives useful in the treatment of insulin resistance and hyperglycemia INSR, GPR119, GCKR MEN1 4215/4885KMT2A 3613/4885NTSR1 376/4885
US-20070032510-A1 Substituted pyrimidines as ligands of adenosine receptors ADORA2A, ADORA3, ADORA1 MEN1 4739/4885KMT2A 3074/4885NTSR1 107/4885

“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.