SCHEMBL1553677

SCHEMBL1553677

Cn1cc(-c2cnc(N)nc2-c2ccccc2)ccc1=O

nearest known ligand 0.69

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 16/20 0.69
ADORA2A P29274 11/20 0.69
ADORA2B P29275 1/20 0.69
KMT2A Q03164 1/20 0.48

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
SCHEMBL1553929 0.86 ADORA1 (0.61) ADORA1ADORA2AADORA2B
SCHEMBL1553233 0.82 ADORA2A (0.62) ADORA1ADORA2AADORA2BKMT2A
SCHEMBL1553927 0.82 ADORA2A (1.00) ADORA1ADORA2AADORA2BKMT2A
Hydrochloric Acid SCHEMBL3111468 0.81 ADORA2A (0.98) ADORA1ADORA2AADORA2BKMT2A
Water SCHEMBL2958593 0.81 ADORA2A (0.98) ADORA1ADORA2AADORA2BKMT2A
SCHEMBL14656059 0.78 ADORA2A (0.61) ADORA1ADORA2AADORA2B
SCHEMBL6133471 0.78 ADORA1 (0.50) ADORA1ADORA2AADORA2BKMT2A
SCHEMBL4582424 0.78 ADORA1 (0.83) ADORA1ADORA2AKMT2A
SCHEMBL13967034 0.77 ADORA2A (0.57) ADORA1ADORA2AADORA2BKMT2A
SCHEMBL13859393 0.77 ADORA2A (0.60) ADORA1ADORA2AADORA2BKMT2A

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 15 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 claimed
US-7396836-B2 Pyrimidine compound and medicinal composition thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-07-08 US claimed
US-20050004149-A1 Pyrimidine compound and medicinal composition thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-01-06 US claimed
EP-1439175-A1 PYRIMIDINE COMPOUND AND MEDICINAL COMPOSITION THEREOF Eisai Co., Ltd. (JP) 2004-07-21 EP claimed
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
EP-2246344-A1 Pyrimidine compounds and medicinal composition thereof Eisai R&D Management Co., Ltd. (JP) 2010-11-03 EP 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-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
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 ADORA1 328/4885ADORA2A 539/4885ADORA2B 307/4885
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.