SCHEMBL5104064

SCHEMBL5104064

Cc1cccnc1Nc1nc2c(Cl)ncnc2s1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 9/20 0.61
ADORA2A P29274 8/20 0.61
ADORA1 P30542 5/20 0.56
TRPV1 Q8NER1 7/20 0.47
KDR P35968 1/20 0.45
NPC1 O15118 3/20 0.44
KMT2A Q03164 2/20 0.44
RAB9A P51151 2/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
HSP90AA1 P07900 1/20 0.44
MAPT P10636 1/20 0.44
SLC2A1 P11166 1/20 0.44
NFKB1 P19838 1/20 0.44
AGTR1 P30556 1/20 0.44
OPRK1 P41145 1/20 0.44
HTT P42858 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL5110748 0.85 KDR (0.48) ADORA3ADORA2AADORA1TRPV1KDR
SCHEMBL3928268 0.83 ADORA3 (0.71) ADORA3ADORA2AADORA1TRPV1
SCHEMBL4016653 0.82 ADORA3 (0.67) ADORA3ADORA2AADORA1TRPV1NPC1
SCHEMBL5109505 0.81 ADORA3 (0.68) ADORA3ADORA2AADORA1TRPV1
SCHEMBL14289549 0.76 TRPV1 (0.77) TRPV1
SCHEMBL5108536 0.75 ADORA2A (1.00) ADORA3ADORA2AADORA1TRPV1KMT2A
SCHEMBL3931651 0.75 ADORA3 (0.77) ADORA3ADORA2AADORA1TRPV1
SCHEMBL5106459 0.73 ADORA3 (0.70) ADORA3ADORA2AADORA1TRPV1
SCHEMBL3931207 0.72 ADORA3 (0.64) ADORA3ADORA2AADORA1TRPV1
SCHEMBL14314147 0.71 ADORA3 (0.67) ADORA3ADORA2AADORA1TRPV1

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
WO-2008005303-A2 THIAZOLOPYRIMIDINE MODULATORS OF TRPV1 JANSSEN PHARMACEUTICA N.V. (BE) 2008-01-10 WO disclosed
US-20080004253-A1 Thiazolopyrimidine modulators of TRPV1 JANSSEN PHARMACEUTICA N.V. (BE) 2008-01-03 US disclosed
US-20080004253-A1 Thiazolopyrimidine modulators of TRPV1 JANSSEN PHARMACEUTICA N.V. (BE) 2008-01-03 US disclosed
US-20080004253-A1 Thiazolopyrimidine modulators of TRPV1 JANSSEN PHARMACEUTICA N.V. (BE) 2008-01-03 US 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-20080004253-A1 Thiazolopyrimidine modulators of TRPV1 TRPV1, TRPA1, TRPV2 ADORA3 819/4885ADORA2A 948/4885ADORA1 743/4885

“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.