SCHEMBL5068960

SCHEMBL5068960

Cc1cc(C)cc(Nc2nc(C)nc3sc(C)nc23)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.40
ADORA3 P0DMS8 2/20 0.38
ADORA2A P29274 2/20 0.38
ADORA1 P30542 2/20 0.38
ADORA2B P29275 1/20 0.38
KDR P35968 2/20 0.38
MAPT P10636 4/20 0.37
LMNA P02545 2/20 0.37
TP53 P04637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
FGFR1 P11362 1/20 0.36
ALDH1A1 P00352 1/20 0.36
RAPGEF4 Q8WZA2 1/20 0.35
SRC P12931 1/20 0.33
CDK2 P24941 1/20 0.33
ZAP70 P43403 1/20 0.33
SYK P43405 1/20 0.33
GAA P10253 1/20 0.33
GRM4 Q14833 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL5061315 0.86 MAPT (0.44) TRPV1ADORA3ADORA2AADORA1ADORA2B
SCHEMBL5068900 0.83 ADORA3 (0.57) TRPV1ADORA3ADORA2AADORA1ADORA2B
SCHEMBL5065463 0.82 MAPT (0.45) TRPV1ADORA3ADORA2AADORA1ADORA2B
SCHEMBL5068853 0.80 KDR (0.47) TRPV1ADORA3ADORA2AADORA1ADORA2B
SCHEMBL5064175 0.80 KDR (0.47) TRPV1ADORA3ADORA2AADORA1ADORA2B
SCHEMBL5068972 0.76 TRPV1 (0.53) TRPV1MAPTLMNATP53RAPGEF4
SCHEMBL16604696 0.75 ADORA3 (0.35) ADORA3ADORA2AADORA1ADORA2BGAA
SCHEMBL5064108 0.75 TRPV1 (0.41) TRPV1ADORA3ADORA2AADORA1ADORA2B
SCHEMBL11014198 0.69 PARP1 (0.39) ADORA3KDRMAPTLMNATP53
SCHEMBL16604726 0.67 ADORA3 (0.34) ADORA3ADORA2AADORA1ADORA2B

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-20080269238-A1 Thiazolopyrimidine Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-30 US claimed
EP-1731523-A1 THIAZOLOPYRIMIDINE DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2006-12-13 EP claimed
US-20080269238-A1 Thiazolopyrimidine Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-30 US disclosed
EP-1731523-A1 THIAZOLOPYRIMIDINE DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2006-12-13 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 (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-20080269238-A1 Thiazolopyrimidine Derivative FGFR3, FGFR1, ERBB3 TRPV1 1569/4885ADORA3 274/4885ADORA2A 1870/4885

“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.