SCHEMBL287658

SCHEMBL287658

O=C(O)c1ncoc1-c1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.74
FBP1 P09467 1/20 0.57
KDM4E B2RXH2 4/20 0.54
PTPN1 P18031 1/20 0.51
GAA P10253 1/20 0.47
GSK3B P49841 2/20 0.47
ALDH1A1 P00352 2/20 0.45
MAPT P10636 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HCRTR1 O43613 1/20 0.45
HCRTR2 O43614 1/20 0.45
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
NR4A2 P43354 1/20 0.43
ADRB2 P07550 2/20 0.42
ADRB1 P08588 2/20 0.42
ADRB3 P13945 2/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.41

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
SCHEMBL27633480 0.89 ADORA2A (0.74) ADORA2AFBP1KDM4EPTPN1GAA
SCHEMBL1166869 0.88 ADORA2A (0.59) ADORA2AFBP1KDM4EPTPN1GSK3B
SCHEMBL13312245 0.85 ADORA2A (0.70) ADORA2AFBP1KDM4EPTPN1GAA
SCHEMBL3285917 0.85 ADORA2A (1.00) ADORA2AFBP1KDM4EPTPN1GAA
SCHEMBL2819322 0.85 ADORA2A (0.56) ADORA2AFBP1KDM4EGAAGSK3B
SCHEMBL631985 0.85 ADORA2A (0.70) ADORA2AFBP1KDM4EPTPN1GAA
SCHEMBL1167030 0.84 ADORA2A (0.54) ADORA2AFBP1KDM4EGAAGSK3B
SCHEMBL1166663 0.84 KMT2A (0.56) ADORA2AFBP1KDM4EGAAGSK3B
SCHEMBL20376680 0.84 ADORA2A (0.54) ADORA2AFBP1KDM4EPTPN1GAA
SCHEMBL3758327 0.84 ADORA2A (0.54) ADORA2AFBP1KDM4EPTPN1GAA

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 237 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2648724-B1 HYDROXYLATED AMINOTRIAZOLE DERIVATIVES AS ALX RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2016-09-21 EP claimed
US-9346793-B2 Hydroxylated aminotriazole derivatives as ALX receptor agonists ACTELION PHARMACEUTICALS, LTD. (CH) 2016-05-24 US claimed
EP-2440555-B1 FLUORINATED AMINOTRIAZOLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2016-05-18 EP claimed
US-9303023-B2 Pyrazole and imidazole derivatives useful as orexin antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2016-04-05 US claimed
EP-2675801-B1 NOVEL PYRAZOLE AND IMIDAZOLE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2015-04-08 EP claimed
CN-102803237-B Oxazole and thiazole derivatives as alx receptor agonists ACTELION PHARMACEUTICALS LTD 2014-09-24 CN claimed
EP-1742925-B1 SUBSTITUTED 5, 6, 7, 8-TETRAHYDRO-PYRIDO[4, 3-D]PYRIMIDINE-2-YL COMPOUNDS AND 5, 6, 7, 8-TETRAHYDRO-QUINAZOLINE-2-YL COMPOUNDS GRUENENTHAL GMBH (DE) 2014-04-23 EP claimed
US-8674111-B2 Oxazole and thiazole derivatives as ALX receptor agonists ACTELION PHARMACEUTICALS LTD. (CH) 2014-03-18 US claimed
CN-101903378-B Aminotriazole derivatives ACTELION PHARMACEUTICALS LTD 2014-03-12 CN claimed
EP-2675801-A1 NOVEL PYRAZOLE AND IMIDAZOLE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2013-12-25 EP claimed
WO-2005089770-A1 BENZODIAZEPINES FOR TREATING OR PREVENTING OR PREVENTING RSV INFECTION ARROW THERAPEUTICS LIMITED (GB) 2005-09-29 WO claimed
WO-2005090319-A1 PROCESS FOR PREPARING BENZODIAZEPINES ARROW THERAPEUTICS LIMITED (GB) 2005-09-29 WO claimed
WO-2005089771-A1 PHARMACEUTICAL COMPOSITION COMPRISING A BENZODIAZEPINE DERIVATIVE AND A INHIBITOR OF THE RSV FUSION PROTEIN ARROW THERAPEUTICS LIMITED (GB) 2005-09-29 WO claimed
EP-1333824-B1 TREATMENT OF SEXUAL DYSFUNCTION WITH BOMBESIN RECEPTOR ANTAGONISTS WARNER LAMBERT CO (US) 2005-09-07 EP claimed
CN-1518445-A Treatment of sexual dysfunction 沃纳-兰伯特公司 2004-08-04 CN claimed
US-20040116440-A1 Bombesin receptor antagonists WARNER-LAMBERT COMPANY LLC 2004-06-17 US claimed
US-20040087561-A1 Treatment of sexual dysfunction WARNER-LAMBERT COMPANY LLC 2004-05-06 US claimed
EP-1334100-A1 BOMBESIN RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY LLC (US) 2003-08-13 EP claimed
US-20020169101-A1 Treatment of sexual dysfunction WARNER-LAMBERT COMPANY 2002-11-14 US claimed
WO-2002040469-A1 BOMBESIN RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY LLC (US) 2002-05-23 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20040087561-A1 Treatment of sexual dysfunction BRS3, MME, ECE1 ADORA2A 2261/4885FBP1 277/4885KDM4E 3348/4885
US-20020169101-A1 Treatment of sexual dysfunction BRS3, MME, ECE1 ADORA2A 2261/4885FBP1 277/4885KDM4E 3348/4885

“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.