SCHEMBL1553935

SCHEMBL1553935

Nc1ncc(-c2ccc(=O)[nH]c2)c(-c2ccco2)n1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 12/20 0.63
ADORA2A P29274 11/20 0.63
ADORA2B P29275 4/20 0.63
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
USP7 Q93009 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38
MAP4K4 O95819 1/20 0.38

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
SCHEMBL1554139 0.83 ADORA2A (0.54) ADORA1ADORA2AADORA2B
SCHEMBL3456558 0.83 ADORA1 (0.57) ADORA1ADORA2AADORA2BPDE3BPDE3A
SCHEMBL4330714 0.82 ADORA2A (0.57) ADORA1ADORA2AADORA2BCDK5CDK5R1
SCHEMBL1553753 0.82 ADORA1 (0.61) ADORA1ADORA2A
SCHEMBL4098775 0.79 ADORA2A (0.45) ADORA1ADORA2AADORA2BPDE3BPDE3A
SCHEMBL5452133 0.78 ADORA1 (0.62) ADORA1ADORA2AADORA2BALDH1A1MAPT
SCHEMBL6133799 0.78 ADORA2A (0.54) ADORA1ADORA2AADORA2BPDE3BPDE3A
SCHEMBL1553927 0.77 ADORA2A (1.00) ADORA1ADORA2AADORA2BALDH1A1MAPT
SCHEMBL1554689 0.77 ADORA1 (0.59) ADORA1ADORA2AADORA2BALDH1A1MAPT
SCHEMBL1553736 0.77 ADORA2A (0.44) ADORA1ADORA2AADORA2BPDE3BPDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101928282-B Process for preparing pyrimidine compounds SANITATION MATERIAL R & D MAN CO LTD 2012-02-29 CN disclosed
EP-1439175-B1 PYRIMIDINE COMPOUND AND MEDICINAL COMPOSITION THEREOF EISAI R&D MAN CO LTD (JP) 2011-04-27 EP disclosed
EP-1439175-B1 PYRIMIDINE COMPOUND AND MEDICINAL COMPOSITION THEREOF EISAI R&D MAN CO LTD (JP) 2011-04-27 EP disclosed
CN-101103024-B Crystal and amorphous form of pyrimidine compound and process for producing the same EISAI R&D MAN CO LTD 2011-03-16 CN disclosed
CN-101928282-A Process for preparing pyrimidine compounds SANITATION MATERIAL R & D MAN CO LTD 2010-12-29 CN disclosed
EP-2246344-A1 Pyrimidine compounds and medicinal composition thereof Eisai R&D Management Co., Ltd. (JP) 2010-11-03 EP disclosed
US-7767812-B2 Crystals of pyrimidine compound and process for producing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-03 US disclosed
US-7767812-B2 Crystals of pyrimidine compound and process for producing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-03 US disclosed
US-7767812-B2 Crystals of pyrimidine compound and process for producing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-03 US disclosed
EP-2210889-A1 Process for producing pyrimidine compound Eisai R&D Management Co., Ltd. (JP) 2010-07-28 EP disclosed
EP-1862463-A1 PYRIMIDINE COMPOUND CRYSTAL OR AMORPHOUS FORM AND PROCESS FOR PRODUCING THE SAME Eisai R&D Management Co., Ltd. (JP) 2007-12-05 EP disclosed
EP-1862463-A1 PYRIMIDINE COMPOUND CRYSTAL OR AMORPHOUS FORM AND PROCESS FOR PRODUCING THE SAME Eisai R&D Management Co., Ltd. (JP) 2007-12-05 EP disclosed
EP-1840128-A1 CRYSTAL OF 5-[2-AMINO-4-(2-FURYL)PYRIMIDIN-5-YL]-1- METHYLPYRIDIN-2(1H)-ONE AND PROCESS FOR PRODUCING THE SAME Eisai R&D Management Co., Ltd. (JP) 2007-10-03 EP disclosed
US-20070078151-A1 Crystalline and amorphous pyrimidine compounds and processes for preparing pyrimidine compounds EISAI CO., LTD. (JP) 2007-04-05 US disclosed
US-20070078151-A1 Crystalline and amorphous pyrimidine compounds and processes for preparing pyrimidine compounds EISAI CO., LTD. (JP) 2007-04-05 US disclosed
US-20070078151-A1 Crystalline and amorphous pyrimidine compounds and processes for preparing pyrimidine compounds EISAI CO., LTD. (JP) 2007-04-05 US disclosed
US-20060235225-A1 Crystals of 5-[2-amino-4-(2-furyl) pyrimidin-5-yl]-1-methylpyridin-2(1H)-one and processes for preparing the same EISAI CO., LTD. (JP) 2006-10-19 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 (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-20070078151-A1 Crystalline and amorphous pyrimidine compounds and processes for preparing pyrimidine compounds UMPS, TYMP, UPP1 ADORA1 131/4885ADORA2A 199/4885ADORA2B 554/4885
US-20060235225-A1 Crystals of 5-[2-amino-4-(2-furyl) pyrimidin-5-yl]-1-methylpyridin-2(1H)-one and processes for preparing the same APC, MLN, CROCC ADORA1 695/4885ADORA2A 826/4885ADORA2B 2663/4885
US-20050004149-A1 Pyrimidine compound and medicinal composition thereof ADORA2B, ADORA2A, ADORA3 ADORA1 4/4885ADORA2A 2/4885ADORA2B 1/4885

“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.