SCHEMBL5022396

SCHEMBL5022396

COc1ccc(CC(=O)Nc2cc(-n3cccn3)nc(-c3nccs3)n2)cc1OC

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 11/20 0.62
ADORA1 P30542 6/20 0.62
LMNA P02545 4/20 0.54
MAPK1 P28482 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
CYP3A4 P08684 1/20 0.48
KDM4E B2RXH2 1/20 0.44
TSHR P16473 1/20 0.44
MAPK10 P53779 1/20 0.44
CTSD P07339 2/20 0.43
ADORA3 P0DMS8 1/20 0.43
ADORA2B P29275 1/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL5022539 0.84 ADORA2A (0.64) ADORA2AADORA1CYP3A4ADORA3ADORA2B
SCHEMBL5016301 0.82 ADORA2A (0.67) ADORA2AADORA1LMNACYP3A4KDM4E
SCHEMBL5022294 0.80 ADORA2A (0.72) ADORA2AADORA1CYP3A4ADORA3ADORA2B
SCHEMBL1490215 0.80 ADORA2A (0.72) ADORA2AADORA1CYP3A4ADORA3ADORA2B
SCHEMBL5025043 0.80 ADORA2A (0.71) ADORA2AADORA1CYP3A4ADORA3ADORA2B
SCHEMBL5026238 0.79 ADORA2A (0.49) ADORA2AADORA1LMNASMN1; SMN2KDM4E
SCHEMBL5022257 0.79 ADORA2A (0.55) ADORA2AADORA1LMNAMAPK1SMN1; SMN2
SCHEMBL5016175 0.77 ADORA2A (0.59) ADORA2AADORA1LMNASMN1; SMN2CYP3A4
SCHEMBL1489482 0.77 ADORA2A (1.00) ADORA2AADORA1CYP3A4ADORA3ADORA2B
SCHEMBL5017779 0.76 ADORA2A (0.60) ADORA2AADORA1LMNACYP3A4ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080058356-A1 2,6 Bisheteroaryl-4-Aminopyrimidines as Adenosine Receptor Antagonists NEUROCRINE BIOSCIENCES, INC. (US) 2008-03-06 US claimed
US-20080058356-A1 2,6 Bisheteroaryl-4-Aminopyrimidines as Adenosine Receptor Antagonists NEUROCRINE BIOSCIENCES, INC. (US) 2008-03-06 US disclosed
US-20080058356-A1 2,6 Bisheteroaryl-4-Aminopyrimidines as Adenosine Receptor Antagonists NEUROCRINE BIOSCIENCES, INC. (US) 2008-03-06 US disclosed
US-20080058356-A1 2,6 Bisheteroaryl-4-Aminopyrimidines as Adenosine Receptor Antagonists NEUROCRINE BIOSCIENCES, INC. (US) 2008-03-06 US disclosed
EP-1697351-A1 2,6-BISHETEROARYL-4-AMINOPYRIMIDINES AS ADENOSINE RECEPTOR ANTAGONISTS Almirall Prodesfarma AG (CH) 2006-09-06 EP disclosed
WO-2005058883-A1 2, 6 BISHETEROARYL-4-AMINOPYRIMIDINES AS ADENOSINE RECEPTOR ANTAGONISTS ALMIRALL PRODESFARMA AG (CH) 2005-06-30 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 (1 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-20080058356-A1 2,6 Bisheteroaryl-4-Aminopyrimidines as Adenosine Receptor Antagonists ADORA2A, ADORA3, ADORA1 ADORA2A 1/4885ADORA1 3/4885LMNA 4748/4885

“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.