SCHEMBL1070609

SCHEMBL1070609

CCCCn1c(=O)n(CCCc2nc(Cc3c(F)cccc3Cl)no2)c(=O)c2[nH]c(Cl)nc21

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 14/20 0.44
PCK1 P35558 3/20 0.41
ADORA1 P30542 7/20 0.39
ADORA2A P29274 6/20 0.39
ADORA3 P0DMS8 3/20 0.39
NPC1 O15118 1/20 0.37
GLA P06280 1/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL843158 0.96 ADORA2B (0.46) ADORA2BPCK1ADORA1ADORA2AADORA3
SCHEMBL874493 0.94 ADORA2B (0.42) ADORA2BADORA1ADORA2AADORA3
SCHEMBL834720 0.92 ADORA2B (0.41) ADORA2BADORA1ADORA2AADORA3
SCHEMBL843387 0.89 ADORA2B (0.47) ADORA2BPCK1ADORA1ADORA2AADORA3
SCHEMBL837384 0.89 ADORA2B (0.44) ADORA2BPCK1ADORA1ADORA2AADORA3
SCHEMBL874777 0.88 ADORA2B (0.38) ADORA2BADORA1ADORA2AADORA3
SCHEMBL837480 0.88 ADORA2B (0.43) ADORA2BPCK1ADORA1ADORA3
SCHEMBL874715 0.87 ADORA2B (0.37) ADORA2BPCK1ADORA1ADORA2AADORA3
SCHEMBL837341 0.87 ADORA2B (0.42) ADORA2BPCK1ADORA1ADORA2AADORA3
SCHEMBL837202 0.87 ADORA2B (0.45) ADORA2BPCK1ADORA1ADORA2AADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2272848-B1 Xanthine derivatives as selective HM74A agonists GLAXOSMITHKLINE LLC (US) 2012-12-26 EP disclosed
US-8143264-B2 Xanthine derivatives as selective HM74A agonists GLAXOSMITHKLINE LLC (US) 2012-03-27 US disclosed
US-20110257205-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS GLAXOSMITHKLINE LLC 2011-10-20 US disclosed
US-20110257205-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS GLAXOSMITHKLINE LLC 2011-10-20 US disclosed
EP-2272848-A1 Xanthine derivatives as selective HM74A agonists Glaxosmithkline LLC (US) 2011-01-12 EP disclosed
US-20100179128-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS SMITHKLINE BEECHAM CORPORATION 2010-07-15 US disclosed
US-20100179128-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS SMITHKLINE BEECHAM CORPORATION 2010-07-15 US disclosed
US-20100179128-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS SMITHKLINE BEECHAM CORPORATION 2010-07-15 US disclosed
US-20100168122-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2010-07-01 US disclosed
US-20100168122-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2010-07-01 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 (3 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-20100168122-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS GPR84, XDH, GPR88 ADORA2B 94/4885PCK1 2131/4885ADORA1 29/4885
US-20110257205-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS GPR84, GPR88, XDH ADORA2B 97/4885PCK1 2044/4885ADORA1 24/4885
US-20100179128-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS XDH, GPR84, GPR88 ADORA2B 111/4885PCK1 2050/4885ADORA1 32/4885

“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.