SCHEMBL836621

SCHEMBL836621

ClCCCc1nnc(Cc2ccccc2)o1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.53
NPC1 O15118 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
HPGD P15428 2/20 0.53
TSHR P16473 2/20 0.53
GPR55 Q9Y2T6 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.49
ALDH1A1 P00352 2/20 0.49
EGFR P00533 2/20 0.47
ERBB2 P04626 1/20 0.47
PTK2 Q05397 1/20 0.47
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ELANE P08246 1/20 0.41
PKM P14618 1/20 0.41
STAT1 P42224 1/20 0.41
POLB P06746 2/20 0.40
GAA P10253 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL27998064 0.83 RAB9A (0.70) RAB9ANPC1SMN1; SMN2HPGDTSHR
SCHEMBL11338554 0.82 RAB9A (0.59) RAB9ANPC1SMN1; SMN2HPGDTSHR
SCHEMBL1069756 0.79 MAPT (0.42) RAB9ANPC1SMN1; SMN2HPGDTSHR
SCHEMBL25416435 0.74 RAB9A (0.59) RAB9ANPC1SMN1; SMN2HPGDTSHR
SCHEMBL13509510 0.74 RAB9A (0.59) RAB9ANPC1SMN1; SMN2HPGDTSHR
SCHEMBL16509671 0.74 RAB9A (0.59) RAB9ANPC1SMN1; SMN2HPGDTSHR
SCHEMBL3826139 0.74 RAB9A (0.59) RAB9ANPC1SMN1; SMN2HPGDTSHR
SCHEMBL28264126 0.71 RAB9A (0.47) RAB9ANPC1SMN1; SMN2HPGDTSHR
SCHEMBL12597232 0.71 RAB9A (0.60) RAB9ANPC1SMN1; SMN2HPGDTSHR
SCHEMBL11835354 0.71 RAB9A (0.59) RAB9ANPC1SMN1; SMN2HPGDTSHR

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 23 patents — showing the first 20. 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-8143264-B2 Xanthine derivatives as selective HM74A agonists GLAXOSMITHKLINE LLC (US) 2012-03-27 US 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
US-20110257205-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS GLAXOSMITHKLINE LLC 2011-10-20 US disclosed
CN-101282977-B Xanthine derivatives as selective hm74a agonists SMITHKLINE BEECHAM CORP 2011-07-27 CN 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-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
CN-101282976-A Xanthine derivatives as selective HM74A agonists SMITHKLINE BEECHAM CORP (US) 2008-10-08 CN disclosed
CN-101282977-A Xanthine derivatives as selective hm74a agonists SMITHKLINE BEECHAM CORP (US) 2008-10-08 CN disclosed
EP-1912992-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS SmithKline Beecham Corporation (US) 2008-04-23 EP disclosed
EP-1912991-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS SmithKline Beecham Corporation (US) 2008-04-23 EP disclosed
WO-2007017261-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2007-02-15 WO disclosed
WO-2007017261-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2007-02-15 WO disclosed
WO-2007017262-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2007-02-15 WO disclosed
WO-2007017262-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2007-02-15 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 (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 RAB9A 1775/4885NPC1 962/4885SMN1; SMN2 740/4885
US-20110257205-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS GPR84, GPR88, XDH RAB9A 1905/4885NPC1 1312/4885SMN1; SMN2 782/4885
US-20100179128-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS XDH, GPR84, GPR88 RAB9A 1728/4885NPC1 919/4885SMN1; SMN2 761/4885

“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.