SCHEMBL1840775

SCHEMBL1840775

O=C(OCc1ccccc1)N1CCCC(CCBr)C1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
CYP2C19 P33261 1/20 0.52
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
LCK P06239 1/20 0.49
GRIN2B Q13224 4/20 0.47
JAK2 O60674 2/20 0.47
JAK1 P23458 2/20 0.47
TYK2 P29597 2/20 0.47
JAK3 P52333 2/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
PDE4B Q07343 1/20 0.45
HTT P42858 1/20 0.45
USP30 Q70CQ3 1/20 0.45

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
SCHEMBL1841198 0.93 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL1842194 0.92 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL1839555 0.91 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL1843641 0.90 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL1843950 0.89 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL13122651 0.89 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL6773162 0.89 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL7700888 0.89 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL7511959 0.88 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL13519703 0.88 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9ACYP2C19MEN1

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
EP-3246030-A1 NOVEL ADENINE DERIVATIVES GlaxoSmithKline LLC (US) 2017-11-22 EP disclosed
EP-3246030-A1 NOVEL ADENINE DERIVATIVES GlaxoSmithKline LLC (US) 2017-11-22 EP disclosed
EP-2320905-B1 NOVEL ADENINE DERIVATIVES GLAXOSMITHKLINE LLC (US) 2017-06-28 EP disclosed
EP-2320905-B1 NOVEL ADENINE DERIVATIVES GLAXOSMITHKLINE LLC (US) 2017-06-28 EP disclosed
US-8802684-B2 Adenine derivatives GLAXOSMITHKLINE LLC (US) 2014-08-12 US disclosed
US-8802684-B2 Adenine derivatives GLAXOSMITHKLINE LLC (US) 2014-08-12 US disclosed
US-8802684-B2 Adenine derivatives GLAXOSMITHKLINE LLC (US) 2014-08-12 US disclosed
US-20140024664-A1 NOVEL ADENINE DERIVATIVES GLAXOSMITHKLINE LLC (US) 2014-01-23 US disclosed
US-20140024664-A1 NOVEL ADENINE DERIVATIVES GLAXOSMITHKLINE LLC (US) 2014-01-23 US disclosed
US-20140024664-A1 NOVEL ADENINE DERIVATIVES GLAXOSMITHKLINE LLC (US) 2014-01-23 US disclosed
US-20120315291-A1 PURINE DERIVATIVES AND THEIR PHARMACEUTICAL USES GLAXOSMITHKLINE LLC (US) 2012-12-13 US disclosed
US-20120315291-A1 PURINE DERIVATIVES AND THEIR PHARMACEUTICAL USES GLAXOSMITHKLINE LLC (US) 2012-12-13 US disclosed
US-20120315291-A1 PURINE DERIVATIVES AND THEIR PHARMACEUTICAL USES GLAXOSMITHKLINE LLC (US) 2012-12-13 US disclosed
WO-2011098451-A1 PURINE DERIVATIVES AND THEIR PHARMACEUTICAL USES GLAXOSMITHKLINE LLC (US) 2011-08-18 WO disclosed
WO-2011098451-A1 PURINE DERIVATIVES AND THEIR PHARMACEUTICAL USES GLAXOSMITHKLINE LLC (US) 2011-08-18 WO disclosed
US-20110144136-A1 NOVEL ADENINE DERIVATIVES GLAXOSMITHKLINE LLC (US) 2011-06-16 US disclosed
US-20110144136-A1 NOVEL ADENINE DERIVATIVES GLAXOSMITHKLINE LLC (US) 2011-06-16 US disclosed
US-20110144136-A1 NOVEL ADENINE DERIVATIVES GLAXOSMITHKLINE LLC (US) 2011-06-16 US disclosed
EP-2320905-A1 NOVEL ADENINE DERIVATIVES Smithkline Beecham Corporation (US) 2011-05-18 EP disclosed
WO-2010018134-A1 NOVEL ADENINE DERIVATIVES SMITHKLINE BEECHAM CORPORATION (US) 2010-02-18 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-20110144136-A1 NOVEL ADENINE DERIVATIVES STING1, IFNG, IFNAR1 SMN1; SMN2 4705/4885NPC1 1904/4885RAB9A 534/4885
US-20140024664-A1 NOVEL ADENINE DERIVATIVES IFNAR1, STING1, IFNG SMN1; SMN2 4751/4885NPC1 1881/4885RAB9A 450/4885
US-20120315291-A1 PURINE DERIVATIVES AND THEIR PHARMACEUTICAL USES STING1, IFNG, IRF3 SMN1; SMN2 2726/4885NPC1 1151/4885RAB9A 1608/4885

“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.