SCHEMBL837415

SCHEMBL837415

C=CCn1c(Cl)nc2c1c(=O)[nH]c(=O)n2CCC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.49
PDE4A P27815 4/20 0.49
ADORA2A P29274 4/20 0.49
PDE4B Q07343 4/20 0.49
PDE4C Q08493 4/20 0.49
PDE4D Q08499 4/20 0.49
ALDH1A1 P00352 4/20 0.48
USP2 O75604 1/20 0.47
HPGD P15428 3/20 0.47
CYP2C9 P11712 1/20 0.47
POLB P06746 2/20 0.47
RXFP1 Q9HBX9 2/20 0.46
TPH1 P17752 2/20 0.46
TPH2 Q8IWU9 2/20 0.46
NPC1 O15118 1/20 0.46
MITF O75030 1/20 0.46
RAB9A P51151 1/20 0.46
PAX8 Q06710 1/20 0.46
GPR55 Q9Y2T6 1/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL835360 0.92 TSHR (0.52) TSHRPDE4AADORA2APDE4BPDE4C
SCHEMBL837428 0.91 MEN1 (0.55) TSHRALDH1A1USP2HPGDPOLB
SCHEMBL3121131 0.90 MEN1 (0.54) TSHRALDH1A1USP2HPGDPOLB
SCHEMBL836795 0.89 ALDH1A1 (0.49) ALDH1A1USP2HPGDPOLBTPH1
SCHEMBL3187590 0.86 TSHR (0.46) TSHRALDH1A1USP2HPGDPOLB
SCHEMBL5719366 0.85 ALDH1A1 (0.64) TSHRALDH1A1USP2HPGDCYP2C9
SCHEMBL3103672 0.84 ALDH1A1 (0.44) TSHRALDH1A1USP2HPGDPOLB
SCHEMBL3185456 0.84 ALDH1A1 (0.43) TSHRALDH1A1USP2HPGDPOLB
SCHEMBL3179415 0.84 ALDH1A1 (0.46) TSHRALDH1A1USP2HPGDPOLB
SCHEMBL835813 0.82 ALDH1A1 (0.42) TSHRALDH1A1USP2HPGDPOLB

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 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150080418-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2015-03-19 US disclosed
US-20150080418-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2015-03-19 US disclosed
US-20150080418-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2015-03-19 US disclosed
US-20130150383-A1 NOVEL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2013-06-13 US disclosed
US-20130150383-A1 NOVEL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2013-06-13 US disclosed
US-20130150383-A1 NOVEL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2013-06-13 US disclosed
EP-1781657-B1 MEDICAMENTS WITH HM74A RECEPTOR ACTIVITY GLAXOSMITHKLINE IP DEV LTD (GB) 2013-03-27 EP disclosed
US-8394808-B2 HM74 receptor agonists:xanthine derivatives, corresponding pharmaceutical compositions, treatment methods and processes GLAXOSMITHKLINE LLC (US) 2013-03-12 US disclosed
US-8394808-B2 HM74 receptor agonists:xanthine derivatives, corresponding pharmaceutical compositions, treatment methods and processes GLAXOSMITHKLINE LLC (US) 2013-03-12 US disclosed
US-8394808-B2 HM74 receptor agonists:xanthine derivatives, corresponding pharmaceutical compositions, treatment methods and processes GLAXOSMITHKLINE LLC (US) 2013-03-12 US disclosed
US-20100010021-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED 2010-01-14 US disclosed
US-20100010021-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED 2010-01-14 US disclosed
US-20100010021-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED 2010-01-14 US disclosed
EP-1912992-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS SmithKline Beecham Corporation (US) 2008-04-23 EP disclosed
US-20070135456-A1 Medicaments with hm74a receptor activity GLAXOSMITHKLINE LLC 2007-06-14 US disclosed
US-20070135456-A1 Medicaments with hm74a receptor activity GLAXOSMITHKLINE LLC 2007-06-14 US disclosed
US-20070135456-A1 Medicaments with hm74a receptor activity GLAXOSMITHKLINE LLC 2007-06-14 US disclosed
EP-1781657-A2 MEDICAMENTS WITH HM74A RECEPTOR ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2007-05-09 EP disclosed
WO-2007017262-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2007-02-15 WO disclosed
WO-2005077950-A2 MEDICAMENTS WITH HM74A RECEPTOR ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2005-08-25 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 (4 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-20070135456-A1 Medicaments with hm74a receptor activity HCAR1, GPR84, HCAR3 TSHR 200/4885PDE4A 679/4885ADORA2A 12/4885
US-20150080418-A1 NOVEL COMPOUNDS HCAR1, XDH, GPR84 TSHR 612/4885PDE4A 408/4885ADORA2A 8/4885
US-20130150383-A1 NOVEL COMPOUNDS HCAR1, XDH, GPR84 TSHR 612/4885PDE4A 408/4885ADORA2A 8/4885
US-20100010021-A1 NOVEL COMPOUNDS HCAR1, XDH, GPR84 TSHR 612/4885PDE4A 408/4885ADORA2A 8/4885

“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.