SCHEMBL626513

SCHEMBL626513

NC(=O)c1cncnc1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT3 Q9NTG7 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
SYK P43405 1/20 0.39
TSHR P16473 2/20 0.38
ADORA3 P0DMS8 1/20 0.38
MC4R P32245 1/20 0.38
ADRA1A P35348 1/20 0.38
MC3R P41968 1/20 0.38
RPS6KB1 P23443 9/20 0.37
AKT1 P31749 4/20 0.37
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CHUK O15111 2/20 0.35
IKBKB O14920 1/20 0.35
NNMT P40261 3/20 0.34
MKNK1 Q9BUB5 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34

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
SCHEMBL31132417 1.00 SIRT3 (0.42) SIRT3TDP1SYKTSHRADORA3
SCHEMBL2575802 0.80 HCAR2 (0.44) TDP1TSHRKDM4EALDH1A1MAPT
SCHEMBL3663171 0.78 SIRT3 (0.42) SIRT3TDP1SYKTSHRADORA3
SCHEMBL24166309 0.77 SIRT3 (0.50) SIRT3TDP1SYKTSHRADORA3
Ethane SCHEMBL27643616 0.77 HCAR2 (0.41) TDP1TSHRKDM4EALDH1A1MAPT
SCHEMBL6856427 0.77 SIRT3 (0.41) SIRT3TDP1SYKTSHRADORA3
SCHEMBL1465185 0.74 KDM4E (0.43) TSHRKDM4EALDH1A1MAPTHSD17B10
SCHEMBL15544783 0.74 PARP1 (0.41) SIRT3TDP1SYKRPS6KB1AKT1
SCHEMBL18400870 0.74 HSP90AA1 (0.40) SIRT3TDP1SYKRPS6KB1AKT1
SCHEMBL15758132 0.74 RPS6KB1 (0.41) SIRT3TDP1RPS6KB1AKT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116635370-A Process for preparing N- (bis (4-methoxyphenyl) methyl) -6-oxo-2- (pyridazin-3-yl) -1, 6-dihydropyrimidine-5-carboxamide 英特维特国际股份有限公司 2023-08-22 CN disclosed
EP-2473486-B2 PYRIMIDINES AS HEPCIDINE ANTAGONISTS VIFOR INT AG (CH) 2021-09-22 EP disclosed
US-10975062-B2 4-aminoquinazolinyl compounds as prolyl hydroxylase inhibitors JANSSEN PHARMACEUTICA NV 2021-04-13 US disclosed
US-10807969-B2 Meglumine salt formulations of 1-(5,6-dichloro-1h-benzo[d]imidazol-2-yl)-1h-pyrazole-4-carboxylic acid JANSSEN PHARMACEUTICA NV (BE) 2020-10-20 US disclosed
EP-3461820-B1 METHOD FOR OBTAINING CRYSTALS OF MEGLUMINE SALT OF 1-(5,6-DICHLORO-1H-BENZO[D]IMIDAZOL-2-YL)-1H-PYRAZOLE-4-CARBOXYLIC ACID JANSSEN PHARMACEUTICA NV (BE) 2020-07-29 EP disclosed
US-20200095234-A1 4-AMINOQUINAZOLINYL COMPOUNDS AS PROLYL HYDROXYLASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2020-03-26 US disclosed
US-20190152955-A1 MEGLUMINE SALT FORMULATIONS OF 1-(5,6-DICHLORO-1H-BENZO[D]IMIDAZOL-2-YL)-1H-PYRAZOLE-4-CARBOXYLIC ACID JANSSEN PHARMACEUTICA NV (BE) 2019-05-23 US disclosed
EP-3461820-A1 METHOD FOR OBTAINING CRYSTALS OF MEGLUMINE SALT OF 1-(5,6-DICHLORO-1H-BENZO[D]IMIDAZOL-2-YL)-1H-PYRAZOLE-4-CARBOXYLIC ACID Janssen Pharmaceutica NV (BE) 2019-04-03 EP disclosed
US-10246442-B2 4-Aminoquinazolin compounds as prolyl hydroxylase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2019-04-02 US disclosed
EP-2758059-B1 SUBSTITUTED PYRIMIDINES MERCK SHARP & DOHME (US) 2018-10-24 EP disclosed
US-20100279974-A1 Nucleosides With Non-Natural Bases as Anti-Viral Agents IDENIX PHARMACEUTICALS, INC. 2010-11-04 US disclosed
US-20100279974-A1 Nucleosides With Non-Natural Bases as Anti-Viral Agents IDENIX PHARMACEUTICALS, INC. 2010-11-04 US disclosed
WO-2010093727-A1 QUINAZOLINONES AS PROLYL HYDROXYLASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-08-19 WO disclosed
US-20100204226-A1 QUINAZOLINONES AS PROLYL HYDROXYLASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-08-12 US disclosed
WO-2009117269-A1 SUBSTITUTED 4-HYDROXYPYRIMIDINE-5-CARBOXAMIDES MERCK & CO., INC. (US) 2009-09-24 WO disclosed
US-20090239876-A1 Substituted 4-Hydroxypyrimidine-5-Carboxamides MERCK SHARP & DOHME LLC 2009-09-24 US disclosed
US-20090239876-A1 Substituted 4-Hydroxypyrimidine-5-Carboxamides MERCK SHARP & DOHME LLC 2009-09-24 US disclosed
EP-1898934-A1 NUCLEOSIDES WITH NON-NATURAL BASES AS ANTI-VIRAL AGENTS Idenix (Cayman) Limited (KY) 2008-03-19 EP disclosed
WO-2007144686-A1 NUCLEOSIDES WITH NON-NATURAL BASES AS ANTI-VIRAL AGENTS IDENIX (CAYMAN) LIMITED (US) 2007-12-21 WO disclosed
US-6114527-A Process for preparing substituted pyrimidine derivatives LONZA AG (CH) 2000-09-05 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 (8 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-20100204226-A1 QUINAZOLINONES AS PROLYL HYDROXYLASE INHIBITORS P4HA1, EGLN3, EGLN2 SIRT3 599/4885TDP1 964/4885SYK 3958/4885
US-10975062-B2 4-aminoquinazolinyl compounds as prolyl hydroxylase inhibitors P4HA1, EGLN3, EGLN2 SIRT3 1745/4885TDP1 642/4885SYK 3116/4885
US-20200095234-A1 4-AMINOQUINAZOLINYL COMPOUNDS AS PROLYL HYDROXYLASE INHIBITORS P4HA1, EGLN3, EGLN2 SIRT3 1745/4885TDP1 642/4885SYK 3116/4885
US-20190152955-A1 MEGLUMINE SALT FORMULATIONS OF 1-(5,6-DICHLORO-1H-BENZO[D]IMIDAZOL-2-YL)-1H-PYRAZOLE-4-CARBOXYLIC ACID PAH, P4HA1, SLC16A1 SIRT3 485/4885TDP1 679/4885SYK 4736/4885
US-10807969-B2 Meglumine salt formulations of 1-(5,6-dichloro-1h-benzo[d]imidazol-2-yl)-1h-pyrazole-4-carboxylic acid PAH, P4HA1, SLC16A1 SIRT3 485/4885TDP1 679/4885SYK 4736/4885
US-20090239876-A1 Substituted 4-Hydroxypyrimidine-5-Carboxamides HIF1AN, EGLN2, EGLN3 SIRT3 1023/4885TDP1 3683/4885SYK 3213/4885
US-20100279974-A1 Nucleosides With Non-Natural Bases as Anti-Viral Agents PNP, NSUN2, NME2 SIRT3 1236/4885TDP1 792/4885SYK 4132/4885
US-10246442-B2 4-Aminoquinazolin compounds as prolyl hydroxylase inhibitors P4HA1, EGLN3, EGLN2 SIRT3 1890/4885TDP1 522/4885SYK 3147/4885

“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.