SCHEMBL4664258

SCHEMBL4664258

O=c1ccc2c(=O)[nH]c(=O)[nH]c2[nH]1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYMP P19971 2/20 0.57
GSK3B P49841 1/20 0.57
BACE1 P56817 1/20 0.57
ADORA1 P30542 1/20 0.47
XDH P47989 1/20 0.45
KDM4E B2RXH2 4/20 0.43
CA12 O43570 3/20 0.43
CA9 Q16790 3/20 0.43
PARP1 P09874 2/20 0.43
GDA Q9Y2T3 1/20 0.41
CRBN Q96SW2 1/20 0.34
PDE3B Q13370 5/20 0.33
PDE3A Q14432 5/20 0.33
ALDH1A1 P00352 4/20 0.33
BLM P54132 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
CYP1A2 P05177 2/20 0.33
PMP22 Q01453 2/20 0.33
HSD17B10 Q99714 2/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL9361947 0.74 ADORA1 (0.44) TYMPGSK3BBACE1ADORA1KDM4E
7-Deazaxanthine SCHEMBL1460298 0.73 TYMP (1.00) TYMPGSK3BBACE1XDHKDM4E
SCHEMBL486486 0.71 PDE3B (0.39) TYMPGSK3BBACE1ADORA1KDM4E
SCHEMBL13671666 0.65 SRC (0.44) TYMPGSK3BBACE1XDHKDM4E
SCHEMBL4721357 0.65 XDH (0.57) TYMPGSK3BBACE1XDHKDM4E
SCHEMBL12235164 0.65 TYMP (0.44) TYMPGSK3BBACE1XDHKDM4E
SCHEMBL19153170 0.64 ADORA1 (0.47) ADORA1XDHCA12CA9PDE3B
SCHEMBL4297133 0.64 CA12 (0.50) ADORA1CA12CA9CRBNPDE3B
Oxypurinol SCHEMBL39154 0.62 XDH (1.00) TYMPGSK3BBACE1XDHKDM4E
Oxypurinol SCHEMBL9003893 0.61 XDH (0.96) TYMPGSK3BBACE1XDHKDM4E

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4323066-A1 MEK INHIBITORS AND USES THEREOF Ikena Oncology, Inc. (US) 2024-02-21 EP disclosed
US-20220380362-A1 PYRIMIDINE COMPOUND AND MEDICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2022-12-01 US disclosed
WO-2022221866-A1 MEK INHIBITORS AND USES THEREOF Ikena Oncology, Inc. (US) 2022-10-20 WO disclosed
CN-114605408-A 5-hydroxy-1, 3-disubstituted phenyl pyrido [2,3-d ] pyrimidine compound and preparation method and application thereof 沈阳药科大学 2022-06-10 CN disclosed
CN-114573581-A 5-substituted amino-1, 3-disubstituted phenyl pyrido [2,3-d ] pyrimidine compound and preparation and application thereof 沈阳药科大学 2022-06-03 CN disclosed
CN-114456166-A 5-substituted amino-3-methylpyrido [2,3-d ] pyrimidine compound and preparation and application thereof 沈阳药科大学 2022-05-10 CN disclosed
CN-109336884-B Method for synthesizing trametinib key intermediate 安庆奇创药业有限公司 2021-02-05 CN disclosed
US-20180273531-A1 PYRIMIDINE COMPOUND AND MEDICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2018-09-27 US disclosed
EP-1894932-A1 5-amino-2,4,7-trioxo-3,4,7,8-tetrahydro-2H-pyrido[2,3-d]pyrimidine derivatives and related compounds for the treatment of cancer Japan Tobacco, Inc. (JP) 2008-03-05 EP disclosed
EP-1761528-B1 5-AMINO-2,4,7-TRIOXO-3,4,7,8-TETRAHYDRO-2H-PYRIDO[2,3-D]PYRIMIDINE DERIVATIVES AND RELATED COMPOUNDS FOR THE TREATMENT OF CANCER JAPAN TOBACCO INC (JP) 2008-01-09 EP disclosed
EP-1761528-A1 5-AMINO-2,4,7-TRIOXO-3,4,7,8-TETRAHYDRO-2H-PYRIDO[2,3-D]PYRIMIDINE DERIVATIVES AND RELATED COMPOUNDS FOR THE TREATMENT OF CANCER Japan Tobacco, Inc. (JP) 2007-03-14 EP disclosed
WO-2005121142-A1 5-AMINO-2,4,7-TRIOXO-3,4,7,8-TETRAHYDRO-2H-PYRIDO’2,3-D! PYRIMIDINE DERIVATIVES AND RELATED COMPOUNDS FOR THE TREATMENT OF CANCER JAPAN TOBACCO INC. (JP) 2005-12-22 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 (2 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-20220380362-A1 PYRIMIDINE COMPOUND AND MEDICAL USE THEREOF TYMP, TYMS, DPYD TYMP 1/4885GSK3B 3207/4885BACE1 4124/4885
US-20180273531-A1 PYRIMIDINE COMPOUND AND MEDICAL USE THEREOF TYMP, TYMS, DPYD TYMP 1/4885GSK3B 3207/4885BACE1 4124/4885

“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.