Sugi Predict

Sugi Predict / Compounds / SCHEMBL837093

SCHEMBL837093

SCHEMBL837093

CC(C)Cn1c(=O)n(CCCCc2nc(-c3ccccn3)no2)c(=O)c2[nH]c(Cl)nc21

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ADORA2B P29275 10/20 0.43
▸ ADORA2A P29274 6/20 0.43
▸ NPC1 O15118 5/20 0.43
▸ SMN1; SMN2 Q16637 4/20 0.43
▸ RAB9A P51151 4/20 0.43
▸ ALDH1A1 P00352 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ ADORA1 P30542 6/20 0.39
▸ ADORA3 P0DMS8 3/20 0.39
▸ PDE5A O76074 3/20 0.39
▸ AR P10275 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ TSHR P16473 1/20 0.37

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
SCHEMBL1066470 0.94 ADORA2B (0.43) ADORA2BADORA2ANPC1SMN1; SMN2RAB9A
SCHEMBL835236 0.93 ADORA2B (0.41) ADORA2BADORA2ANPC1SMN1; SMN2RAB9A
SCHEMBL837624 0.91 ADORA2B (0.49) ADORA2BADORA2ANPC1SMN1; SMN2RAB9A
SCHEMBL836978 0.91 ADORA2B (0.46) ADORA2BADORA2ANPC1SMN1; SMN2RAB9A
SCHEMBL1067151 0.91 NPC1 (0.45) ADORA2BADORA2ANPC1SMN1; SMN2RAB9A
SCHEMBL1070506 0.89 NPC1 (0.46) ADORA2BADORA2ANPC1SMN1; SMN2RAB9A
SCHEMBL836881 0.89 ADORA2B (0.46) ADORA2BADORA2ANPC1SMN1; SMN2RAB9A
SCHEMBL3115399 0.89 NPC1 (0.51) ADORA2BADORA2ANPC1SMN1; SMN2RAB9A
SCHEMBL3114981 0.89 NPC1 (0.53) ADORA2BADORA2ANPC1SMN1; SMN2RAB9A
SCHEMBL3111410 0.88 NPC1 (0.43) ADORA2BADORA2ANPC1SMN1; SMN2RAB9A

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 6 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-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-20100168122-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2010-07-01 — — US 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 ADORA2B 94/4885ADORA2A 16/4885NPC1 962/4885
US-20110257205-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS GPR84, GPR88, XDH ADORA2B 97/4885ADORA2A 11/4885NPC1 1312/4885
US-20100179128-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS XDH, GPR84, GPR88 ADORA2B 111/4885ADORA2A 17/4885NPC1 919/4885

“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.