SCHEMBL3758327

SCHEMBL3758327

O=C(O)c1ncoc1-c1ccc(Br)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.54
GAA P10253 2/20 0.48
KDM4E B2RXH2 3/20 0.47
FBP1 P09467 1/20 0.43
PTPN1 P18031 1/20 0.42
GSK3B P49841 4/20 0.41
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
NPC1 O15118 1/20 0.40
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
ADRB3 P13945 1/20 0.40
MCL1 Q07820 1/20 0.38
ALDH1A1 P00352 2/20 0.38
PKM P14618 1/20 0.38
CDK2 P24941 1/20 0.38
RXFP1 Q9HBX9 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
KDM5A P29375 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
SCHEMBL287658 0.84 ADORA2A (0.74) ADORA2AGAAKDM4EFBP1PTPN1
SCHEMBL1167030 0.83 ADORA2A (0.54) ADORA2AGAAKDM4EFBP1GSK3B
SCHEMBL20376680 0.83 ADORA2A (0.54) ADORA2AGAAKDM4EFBP1PTPN1
SCHEMBL1166663 0.83 KMT2A (0.56) ADORA2AGAAKDM4EFBP1GSK3B
SCHEMBL1167383 0.83 GAA (0.68) ADORA2AGAAKDM4EFBP1GSK3B
SCHEMBL2819322 0.81 ADORA2A (0.56) ADORA2AGAAKDM4EFBP1GSK3B
SCHEMBL31325658 0.80 ADORA2A (0.51) ADORA2AGAAKDM4EFBP1GSK3B
SCHEMBL1167532 0.79 ADORA2A (0.54) ADORA2AGAAKDM4EFBP1GSK3B
SCHEMBL14705970 0.79 GSK3B (0.58) ADORA2AGAAKDM4EFBP1GSK3B
SCHEMBL1167311 0.79 GSK3B (0.60) ADORA2AGAAKDM4EFBP1GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9272990-B2 Lysophosphatidic acid receptor antagonists and their use in the treatment fibrosis AMIRA PHARMACEUTICALS, INC. (US) 2016-03-01 US disclosed
US-9272990-B2 Lysophosphatidic acid receptor antagonists and their use in the treatment fibrosis AMIRA PHARMACEUTICALS, INC. (US) 2016-03-01 US disclosed
US-9272990-B2 Lysophosphatidic acid receptor antagonists and their use in the treatment fibrosis AMIRA PHARMACEUTICALS, INC. (US) 2016-03-01 US disclosed
EP-2648714-B1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AND USES THEREOF AMIRA PHARMACEUTICALS INC (US) 2015-11-18 EP disclosed
EP-2648714-B1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AND USES THEREOF AMIRA PHARMACEUTICALS INC (US) 2015-11-18 EP disclosed
US-9187465-B2 Oxazole tyrosine kinase inhibitors SAREUM LIMITED (GB) 2015-11-17 US disclosed
US-8975235-B2 Lysophosphatidic acid receptor antagonists INTERMUNE, INC. (US) 2015-03-10 US disclosed
US-8975235-B2 Lysophosphatidic acid receptor antagonists INTERMUNE, INC. (US) 2015-03-10 US disclosed
US-20150057282-A1 OXAZOLE TYROSINE KINASE INHIBITORS SAREUM LIMITED (GB) 2015-02-26 US disclosed
US-8921544-B2 Oxazole tyrosine kinase inhibitors SAREUM LIMITED (GB) 2014-12-30 US disclosed
US-20130253004-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AND THEIR USE IN THE TREATMENT FIBROSIS AMIRA PHARMACEUTICALS, INC. (US) 2013-09-26 US disclosed
US-20130253004-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AND THEIR USE IN THE TREATMENT FIBROSIS AMIRA PHARMACEUTICALS, INC. (US) 2013-09-26 US disclosed
US-20130102592-A1 OXAZOLE TYROSINE KINASE INHIBITORS SAREUM LIMITED (GB) 2013-04-25 US disclosed
US-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2013-03-21 US disclosed
US-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2013-03-21 US disclosed
WO-2013025733-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2013-02-21 WO disclosed
US-8378095-B2 Oxazole tyrosine kinase inhibitors Saruem Limited (GB) 2013-02-19 US disclosed
WO-2012078593-A2 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AND USES THEREOF AMIRA PHARMACEUTICALS, INC. (US) 2012-06-14 WO disclosed
WO-2012078593-A2 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AND USES THEREOF AMIRA PHARMACEUTICALS, INC. (US) 2012-06-14 WO disclosed
US-20100298301-A1 OXAZOLE TYROSINE KINASE INHIBITORS SAREUM LIMITED (GB) 2010-11-25 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 (5 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-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 ADORA2A 175/4885GAA 957/4885KDM4E 4418/4885
US-20130253004-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AND THEIR USE IN THE TREATMENT FIBROSIS LPAR2, LPAR1, LPAR4 ADORA2A 384/4885GAA 1973/4885KDM4E 3386/4885
US-20100298301-A1 OXAZOLE TYROSINE KINASE INHIBITORS FLT3, AURKA, FLT1 ADORA2A 2016/4885GAA 4359/4885KDM4E 718/4885
US-20150057282-A1 OXAZOLE TYROSINE KINASE INHIBITORS FLT3, AURKA, FLT1 ADORA2A 2016/4885GAA 4359/4885KDM4E 718/4885
US-20130102592-A1 OXAZOLE TYROSINE KINASE INHIBITORS FLT3, AURKA, FLT1 ADORA2A 2030/4885GAA 4387/4885KDM4E 675/4885

“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.