SCHEMBL836117

SCHEMBL836117

Fc1ccc(Cc2nnc(CCCCl)o2)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLPP Q16740 1/20 0.43
MAPT P10636 4/20 0.40
TP53 P04637 2/20 0.40
POLB P06746 2/20 0.40
RAB9A P51151 3/20 0.38
P2RX7 Q99572 1/20 0.37
CYP1A2 P05177 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
GFER P55789 1/20 0.36
NPC1 O15118 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALOX15 P16050 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
HSD17B10 Q99714 1/20 0.36
USP2 O75604 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL1069756 0.88 MAPT (0.42) CLPPMAPTTP53POLBRAB9A
SCHEMBL837511 0.87 QPCT (0.42) CLPPMAPTPOLBCYP1A2CYP2C19
SCHEMBL21654820 0.72 NPC1 (0.39) CLPPMAPTTP53POLBRAB9A
SCHEMBL21654818 0.71 PTK2 (0.45) CLPPMAPTPOLBRAB9ANPC1
SCHEMBL21654685 0.70 NPC1 (0.39) CLPPMAPTTP53POLBRAB9A
SCHEMBL18263307 0.69 ALDH1A1 (0.41) MAPTTP53RAB9AP2RX7CYP1A2
SCHEMBL836621 0.68 RAB9A (0.53) POLBRAB9ANPC1SMN1; SMN2TSHR
SCHEMBL16016326 0.66 POLB (0.40) POLBNPC1SMN1; SMN2USP2TSHR
SCHEMBL531667 0.66 ALDH1A1 (0.43) MAPTTP53POLBRAB9AP2RX7
Methane SCHEMBL27753843 0.64 HSD17B10 (0.45) MAPTTP53POLBRAB9AP2RX7

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 17 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-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
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
US-20100168122-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2010-07-01 US 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-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 CLPP 4416/4885MAPT 3948/4885TP53 4026/4885
US-20110257205-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS GPR84, GPR88, XDH CLPP 4066/4885MAPT 4108/4885TP53 3688/4885
US-20100179128-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS XDH, GPR84, GPR88 CLPP 4368/4885MAPT 4059/4885TP53 4012/4885

“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.