SCHEMBL3187590

SCHEMBL3187590

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

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ ALDH1A1 P00352 9/20 0.46
▸ POLB P06746 2/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ ATM Q13315 2/20 0.46
▸ HPGD P15428 2/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ LMNA P02545 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ MAPK1 P28482 2/20 0.45
▸ XBP1 P17861 1/20 0.45
▸ USP2 O75604 1/20 0.45
▸ PKM P14618 1/20 0.43
▸ HTT P42858 1/20 0.43

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
SCHEMBL3103672 0.93 ALDH1A1 (0.44) TSHRMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL837415 0.86 TSHR (0.49) TSHRMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL835360 0.84 TSHR (0.52) TSHRMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL836795 0.83 ALDH1A1 (0.49) MEN1KMT2AALDH1A1POLBSMN1; SMN2
SCHEMBL837428 0.83 MEN1 (0.55) TSHRMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL3121131 0.82 MEN1 (0.54) TSHRMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL5719366 0.82 ALDH1A1 (0.64) TSHRMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL3185456 0.81 ALDH1A1 (0.43) TSHRMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL3179415 0.81 ALDH1A1 (0.46) TSHRMEN1KMT2AALDH1A1POLB
SCHEMBL835813 0.79 ALDH1A1 (0.42) TSHRMEN1KMT2AL3MBTL1ALDH1A1

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 27 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-7713982-B2 Xanthines with HM74A receptor activity SMITHKLINE BEECHAM CORPORATION (US) 2010-05-11 — — US disclosed
US-7713982-B2 Xanthines with HM74A receptor activity SMITHKLINE BEECHAM CORPORATION (US) 2010-05-11 — — 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
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-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 200/4885MEN1 1560/4885KMT2A 2484/4885
US-20150080418-A1 NOVEL COMPOUNDS HCAR1, XDH, GPR84 TSHR 612/4885MEN1 3009/4885KMT2A 3023/4885
US-20130150383-A1 NOVEL COMPOUNDS HCAR1, XDH, GPR84 TSHR 612/4885MEN1 3009/4885KMT2A 3023/4885
US-20100010021-A1 NOVEL COMPOUNDS HCAR1, XDH, GPR84 TSHR 612/4885MEN1 3009/4885KMT2A 3023/4885

“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.

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