SCHEMBL3249170

SCHEMBL3249170

CC(C)(C)OC(=O)N1CCC(COc2ccccc2)CC1

nearest known ligand 0.77

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.61
PKM P14618 1/20 0.61
GPR119 Q8TDV5 8/20 0.57
STS P08842 1/20 0.55
CSF1R P07333 1/20 0.55
YAP1 P46937 2/20 0.53
CHEK2 O96017 1/20 0.53
SLC2A1 P11166 1/20 0.53

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
SCHEMBL13876978 0.92 KDM4E (0.56) KDM4EPKMGPR119STSYAP1
SCHEMBL26668458 0.91 SLC2A1 (0.59) KDM4EPKMGPR119CSF1RCHEK2
SCHEMBL12813454 0.91 YAP1 (0.66) KDM4EPKMGPR119STSYAP1
SCHEMBL65285 0.89 GPR119 (0.59) KDM4EPKMGPR119CHEK2SLC2A1
SCHEMBL12834985 0.88 GPR119 (0.58) KDM4EPKMGPR119CSF1RCHEK2
SCHEMBL2158159 0.88 GPR119 (0.65) KDM4EPKMGPR119STSCSF1R
SCHEMBL15412759 0.88 GPR119 (0.58) KDM4EPKMGPR119CHEK2
SCHEMBL13097087 0.88 SLC2A1 (0.57) KDM4EPKMGPR119CSF1RCHEK2
SCHEMBL13096956 0.88 YAP1 (0.60) KDM4EPKMGPR119STSCSF1R
SCHEMBL6406782 0.87 SLC2A1 (0.58) GPR119CHEK2SLC2A1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021097240-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2021-05-20 WO disclosed
US-20210139471-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2021-05-13 US disclosed
WO-2020154571-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-07-30 WO disclosed
US-20170121349-A1 Anti-Infective Compounds INSTITUT PASTEUR KOREA (KR) 2017-05-04 US disclosed
EP-1467995-B1 PYRROLOPYRIMIDINE A2B SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE OSI PHARM INC (US) 2010-05-19 EP disclosed
US-7645754-B2 Pyrrolopyrimidine A2B selective antagonist compounds, their synthesis and use OSI PHARMACEUTICALS, INC. (US) 2010-01-12 US disclosed
US-7645754-B2 Pyrrolopyrimidine A2B selective antagonist compounds, their synthesis and use OSI PHARMACEUTICALS, INC. (US) 2010-01-12 US disclosed
US-7645754-B2 Pyrrolopyrimidine A2B selective antagonist compounds, their synthesis and use OSI PHARMACEUTICALS, INC. (US) 2010-01-12 US disclosed
US-20080261943-A1 PYRROLOPYRIMIDINE A2B SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE OSI PHARMACEUTICALS, INC. (US) 2008-10-23 US disclosed
US-20080261943-A1 PYRROLOPYRIMIDINE A2B SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE OSI PHARMACEUTICALS, INC. (US) 2008-10-23 US disclosed
US-20080261943-A1 PYRROLOPYRIMIDINE A2B SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE OSI PHARMACEUTICALS, INC. (US) 2008-10-23 US disclosed
EP-1467995-A4 PYRROLOPYRIMIDINE A2B SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE OSI PHARM INC (US) 2005-12-07 EP disclosed
EP-1467995-A2 PYRROLOPYRIMIDINE A2B SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE OSI Pharmaceuticals, Inc. (US) 2004-10-20 EP disclosed
US-20030229067-A1 Pyrrolopyrimidine A2b selective antagonist compounds, their synthesis and use OSI PHARMACEUTICALS, INC. 2003-12-11 US disclosed
WO-2003053361-A2 PYRROLOPYRIMIDINE A2b SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE OSI PHARMACEUTICALS, INC. (US) 2003-07-03 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 (4 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-20080261943-A1 PYRROLOPYRIMIDINE A2B SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE NR0B2, NR0B1, ADORA2B KDM4E 3370/4885PKM 4003/4885GPR119 263/4885
US-20030229067-A1 Pyrrolopyrimidine A2b selective antagonist compounds, their synthesis and use ADORA2B, OXER1, CNR1 KDM4E 4046/4885PKM 4410/4885GPR119 328/4885
US-20210139471-A1 COMPOUNDS AND USES THEREOF NLN, BDNF, NQO1 KDM4E 1073/4885PKM 833/4885GPR119 3998/4885
US-20170121349-A1 Anti-Infective Compounds FNTB, LSS, PGLS KDM4E 3797/4885PKM 2368/4885GPR119 4353/4885

“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.