SCHEMBL3256200

SCHEMBL3256200

CC(C)(C)OC(=O)N1CCC(COc2ccc(Cl)cc2)CC1

nearest known ligand 0.78

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 8/20 0.57
CHEK2 O96017 1/20 0.54
STS P08842 1/20 0.54
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
KDM4E B2RXH2 1/20 0.50
PKM P14618 1/20 0.50
HDAC1 Q13547 1/20 0.50

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
SCHEMBL31071572 0.93 GPR119 (0.53) GPR119CHEK2STSMEN1KMT2A
SCHEMBL4322579 0.89 GPR119 (0.65) GPR119CHEK2STSMEN1KMT2A
SCHEMBL15412759 0.89 GPR119 (0.58) GPR119CHEK2KDM4EPKMHDAC1
SCHEMBL12834985 0.89 GPR119 (0.58) GPR119CHEK2KMT2AKDM4EPKM
SCHEMBL17078840 0.88 GPR119 (0.55) GPR119CHEK2KDM4EPKMHDAC1
SCHEMBL10223291 0.88 NPC1 (0.61) GPR119CHEK2KDM4EPKMHDAC1
SCHEMBL213773 0.88 GPR119 (0.57) GPR119CHEK2KDM4EPKMHDAC1
SCHEMBL1769099 0.88 GPR119 (0.57) GPR119CHEK2MEN1KMT2AKDM4E
SCHEMBL2456170 0.88 GPR119 (0.57) GPR119CHEK2KDM4EPKMHDAC1
SCHEMBL3249170 0.87 KDM4E (0.61) GPR119CHEK2STSKDM4EPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150266852-A1 5H-CYCLOPENTA[d]PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS GENENTECH, INC. 2015-09-24 US disclosed
EP-2250155-B1 5H-CYCLOPENTA[D]PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2013-07-03 EP 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-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 (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-20080261943-A1 PYRROLOPYRIMIDINE A2B SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE NR0B2, NR0B1, ADORA2B GPR119 263/4885CHEK2 3514/4885STS 3392/4885
US-20030229067-A1 Pyrrolopyrimidine A2b selective antagonist compounds, their synthesis and use ADORA2B, OXER1, CNR1 GPR119 328/4885CHEK2 3024/4885STS 2593/4885
US-20150266852-A1 5H-CYCLOPENTA[d]PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS PIK3CA, AKT3, AKT2 GPR119 1119/4885CHEK2 49/4885STS 1795/4885

“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.