SCHEMBL5017675

SCHEMBL5017675

CS(=O)(=O)c1nc(N)cc(-c2cccnc2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
POLB P06746 2/20 0.50
CYP19A1 P11511 1/20 0.47
BPTF Q12830 1/20 0.47
SDHB P21912 2/20 0.46
RAB9A P51151 2/20 0.46
MEN1 O00255 2/20 0.46
S1PR4 O95977 1/20 0.46
TP53 P04637 1/20 0.46
HPGD P15428 1/20 0.46
S1PR1 P21453 1/20 0.46
MAPK1 P28482 1/20 0.46
STAT3 P40763 1/20 0.46
STAT1 P42224 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TLR9 Q9NR96 1/20 0.46
HSP90AA1 P07900 1/20 0.45

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
SCHEMBL5017672 0.83 BPTF (0.47) LMNAPOLBBPTFSDHBRAB9A
SCHEMBL28307444 0.79 SDHB (0.75) LMNAPOLBSDHBRAB9AMEN1
SCHEMBL15757779 0.78 HSP90AA1 (0.62) CYP19A1MEN1HPGDNPSR1HSD17B10
SCHEMBL19830922 0.78 ADORA2A (0.59) LMNAPOLBCYP19A1MEN1TP53
SCHEMBL30488026 0.78 HSP90AA1 (0.62) CYP19A1MEN1HPGDNPSR1HSD17B10
SCHEMBL3572760 0.77 HSP90AA1 (0.57) LMNAPOLBRAB9AHSP90AA1HSP90AB1
SCHEMBL18893679 0.76 SMN1; SMN2 (0.45) LMNABPTFSDHBTP53HPGD
SCHEMBL13912521 0.75 ADORA2A (0.71) CYP19A1RAB9AMEN1TP53HPGD
SCHEMBL5023045 0.75 CYP19A1 (0.53) CYP19A1MEN1HPGDHSD17B10HSP90AA1
SCHEMBL5022939 0.75 CCR1 (0.44) LMNAPOLBBPTFSDHBRAB9A

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 4 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 disclosed
CN-1953975-A 2, 6 bisheteroaryl-4-aminopyrimidines as adenosine receptor antagonists ALMIRALL PRODESFARMA AG (CH) 2007-04-25 CN 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 LMNA 4748/4885POLB 1317/4885CYP19A1 3285/4885

“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.