SCHEMBL1553736

SCHEMBL1553736

Nc1ncc(-c2ccc(=O)[nH]c2)c(-c2cccs2)n1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 8/20 0.44
ADORA1 P30542 8/20 0.44
CDK5 Q00535 2/20 0.40
CDK5R1 Q15078 2/20 0.40
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
USP7 Q93009 1/20 0.38
ADORA2B P29275 2/20 0.38
ADK P55263 1/20 0.38
CLK1 P49759 2/20 0.38
MAP4K4 O95819 1/20 0.38
ATR Q13535 2/20 0.37

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
SCHEMBL1553753 0.81 ADORA1 (0.61) ADORA2AADORA1
SCHEMBL6134640 0.78 GPR119 (0.47) ADORA2AADORA1CDK5CDK5R1PDE3B
SCHEMBL5451849 0.78 ADORA1 (0.64) ADORA2AADORA1CDK5CDK5R1KDM4E
SCHEMBL1553935 0.77 ADORA1 (0.63) ADORA2AADORA1CDK5CDK5R1PDE3B
SCHEMBL1553233 0.76 ADORA2A (0.62) ADORA2AADORA1CDK5CDK5R1ALDH1A1
SCHEMBL1554693 0.76 ADORA1 (0.45) ADORA2AADORA1KDM4EALDH1A1ADORA2B
SCHEMBL1554448 0.75 ADORA1 (0.52) ADORA2AADORA1ADORA2BMAP4K4
SCHEMBL5241771 0.74 ADORA1 (0.49) ADORA2AADORA1CDK5CDK5R1KDM4E
SCHEMBL13966340 0.74 USP7 (0.37) ADORA2AADORA1CDK5CDK5R1USP7
SCHEMBL7467727 0.72 ADORA1 (0.42) ADORA2AADORA1KDM4EALDH1A1ADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1439175-B1 PYRIMIDINE COMPOUND AND MEDICINAL COMPOSITION THEREOF EISAI R&D MAN CO LTD (JP) 2011-04-27 EP disclosed
EP-2246344-A1 Pyrimidine compounds and medicinal composition thereof Eisai R&D Management Co., Ltd. (JP) 2010-11-03 EP disclosed
CN-100519549-C Pyrimidine compounds and pharmaceutical compositions containing the same EISAI R&D MAN CO LTD (JP) 2009-07-29 CN disclosed
US-20090030023-A1 PYRIMIDINE COMPOUNDS AND MEDICINAL COMPOSITION THEREOF HARADA HITOSHI 2009-01-29 US disclosed
US-20090030023-A1 PYRIMIDINE COMPOUNDS AND MEDICINAL COMPOSITION THEREOF HARADA HITOSHI 2009-01-29 US disclosed
US-7396836-B2 Pyrimidine compound and medicinal composition thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-07-08 US disclosed
US-7396836-B2 Pyrimidine compound and medicinal composition thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-07-08 US disclosed
US-7396836-B2 Pyrimidine compound and medicinal composition thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-07-08 US disclosed
CN-1575290-A Pyrimidine derivatives and pharmaceutical compositions containing that compounds EISAI CO LTD (JP) 2005-02-02 CN disclosed
US-20050004149-A1 Pyrimidine compound and medicinal composition thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-01-06 US disclosed
EP-1439175-A1 PYRIMIDINE COMPOUND AND MEDICINAL COMPOSITION THEREOF Eisai Co., Ltd. (JP) 2004-07-21 EP 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-20090030023-A1 PYRIMIDINE COMPOUNDS AND MEDICINAL COMPOSITION THEREOF CBR3, AHR, HCCS ADORA2A 539/4885ADORA1 328/4885CDK5 630/4885
US-20050004149-A1 Pyrimidine compound and medicinal composition thereof ADORA2B, ADORA2A, ADORA3 ADORA2A 2/4885ADORA1 4/4885CDK5 821/4885

“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.