SCHEMBL3256196

SCHEMBL3256196

CC(=O)Nc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.69
MAPT P10636 6/20 0.68
KMT2A Q03164 5/20 0.68
MEN1 O00255 4/20 0.68
SMN1; SMN2 Q16637 3/20 0.65
TSHR P16473 1/20 0.65
ALDH1A1 P00352 3/20 0.61
LMNA P02545 2/20 0.61
KDM4E B2RXH2 1/20 0.60
GAA P10253 1/20 0.60
CYP2C19 P33261 2/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
GFER P55789 1/20 0.58
GPR119 Q8TDV5 5/20 0.58
ESR2 Q92731 1/20 0.55
NPC1 O15118 1/20 0.55
NR2F2 P24468 1/20 0.55
HTT P42858 1/20 0.55
PTPN2 P17706 1/20 0.54

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
SCHEMBL29037711 0.89 NAMPT (0.69) NAMPTMAPTKMT2AMEN1SMN1; SMN2
SCHEMBL31034622 0.88 NAMPT (0.67) NAMPTMAPTKMT2AMEN1SMN1; SMN2
SCHEMBL5573222 0.87 MAPT (0.76) NAMPTMAPTKMT2AMEN1SMN1; SMN2
SCHEMBL13853617 0.87 NAMPT (0.66) NAMPTMAPTKMT2AMEN1SMN1; SMN2
SCHEMBL29803251 0.87 MAPT (0.69) NAMPTMAPTKMT2AMEN1SMN1; SMN2
SCHEMBL30182423 0.87 MAPT (0.69) NAMPTMAPTKMT2AMEN1SMN1; SMN2
SCHEMBL6917550 0.86 NAMPT (0.65) NAMPTMAPTKMT2AMEN1SMN1; SMN2
SCHEMBL19145920 0.86 NAMPT (0.65) NAMPTMAPTKMT2AMEN1SMN1; SMN2
SCHEMBL7332428 0.86 NAMPT (0.65) NAMPTMAPTKMT2AMEN1SMN1; SMN2
SCHEMBL27179099 0.86 NAMPT (0.65) NAMPTMAPTKMT2AMEN1SMN1; SMN2

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
CN-101973998-A Pyrrolopyrimidine A2b selective antagonist compounds, their synthesis and use OSI PHARM INC 2011-02-16 CN 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
CN-1816551-A Pyrrolopyrimidine A2bSelective antagonist compounds, their synthesis and use OSI PHARM INC (US) 2006-08-09 CN 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
US-5994356-A ANTICOAGULANT KARL THOMAE (DE) 1999-11-30 US disclosed
EP-0892783-A1 CARBOXYLIC ACID DERIVATIVES WITH AN AGGREGATION-INHIBITING ACTION Dr. Karl Thomae GmbH (DE) 1999-01-27 EP disclosed
WO-1997037975-A1 CARBOXYLIC ACID DERIVATIVES WITH AN AGGREGATION-INHIBITING ACTION DR. KARL THOMAE GMBH (DE) 1997-10-16 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 (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-20080261943-A1 PYRROLOPYRIMIDINE A2B SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE NR0B2, NR0B1, ADORA2B NAMPT 1883/4885MAPT 4776/4885KMT2A 1528/4885
US-20030229067-A1 Pyrrolopyrimidine A2b selective antagonist compounds, their synthesis and use ADORA2B, OXER1, CNR1 NAMPT 2322/4885MAPT 4865/4885KMT2A 2399/4885

“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.