SCHEMBL3155347

SCHEMBL3155347

CC(=O)NCCNc1cc(N2CCN(C(=O)c3ccccc3)CC2)nc(-c2ccccc2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 2/20 0.49
KDM6B O15054 3/20 0.48
KDM2B Q8NHM5 3/20 0.48
CHRNA1 P02708 2/20 0.48
MAOB P27338 2/20 0.48
OPRM1 P35372 2/20 0.48
OPRK1 P41145 2/20 0.48
PDE4B Q07343 2/20 0.48
SCN5A Q14524 2/20 0.48
KDM4C Q9H3R0 2/20 0.48
KDM5B Q9UGL1 2/20 0.48
PHF8 Q9UPP1 2/20 0.48
NR1I2 O75469 1/20 0.48
AHR P35869 1/20 0.48
AVPR1A P37288 1/20 0.48
SLCO1B1 Q9Y6L6 1/20 0.48
ALDH1A1 P00352 2/20 0.48
LMNA P02545 1/20 0.48
ADORA2B P29275 3/20 0.47
ADORA3 P0DMS8 1/20 0.47

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
SCHEMBL3163851 0.96 GBA1 (0.48) GBA1KDM6BKDM2BCHRNA1MAOB
SCHEMBL3171321 0.96 GBA1 (0.54) GBA1KDM6BKDM2BCHRNA1MAOB
SCHEMBL3166309 0.95 GBA1 (0.48) GBA1KDM6BKDM2BCHRNA1MAOB
SCHEMBL3163116 0.95 KDM6B (0.50) GBA1KDM6BKDM2BCHRNA1MAOB
SCHEMBL3172414 0.94 GBA1 (0.50) GBA1KDM6BKDM2BCHRNA1MAOB
SCHEMBL3156444 0.93 GBA1 (0.46) GBA1KDM6BKDM2BCHRNA1MAOB
SCHEMBL3164343 0.93 GBA1 (0.52) GBA1KDM6BKDM2BCHRNA1MAOB
SCHEMBL3166992 0.93 SLC6A7 (0.48) GBA1KDM6BKDM2BCHRNA1MAOB
SCHEMBL3175804 0.93 GBA1 (0.51) GBA1KDM6BKDM2BCHRNA1MAOB
SCHEMBL3258775 0.92 ACACB (0.48) GBA1KDM6BKDM2BCHRNA1MAOB

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
EP-1465631-B1 PYRIMIDINE A2B SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE OSI PHARM INC (US) 2010-02-24 EP disclosed
US-7501407-B2 Pyrimidine A2B selective antagonist compounds, their synthesis and use OSI PHARMACEUTICALS, INC. (US) 2009-03-10 US disclosed
US-6916804-B2 Pyrimidine A2b selective antagonist compounds, their synthesis and use OSI PHARMACEUTICALS, INC. (US) 2005-07-12 US disclosed
US-20050119271-A1 Pyrimidine A2B selective antagonist compounds, their synthesis and use OSI PHARMACEUTICALS, INC. 2005-06-02 US disclosed
CN-1620294-A Pyrimidine A2BSelective antagonist compounds, their synthesis and use OSI PHARM INC (US) 2005-05-25 CN disclosed
EP-1465631-A4 PYRIMIDINE A2B SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE OSI PHARM INC (US) 2005-03-30 EP disclosed
EP-1465631-A2 PYRIMIDINE A2B SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE OSI Pharmaceuticals, Inc. (US) 2004-10-13 EP disclosed
US-20030162764-A1 Pyrimidine A2b selective antagonist compounds, their synthesis and use OSI PHARMACEUTICALS, INC. 2003-08-28 US disclosed
WO-2003053366-A2 PYRIMIDINE 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 (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-20050119271-A1 Pyrimidine A2B selective antagonist compounds, their synthesis and use ADORA2B, ADORA2A, ADORA3 GBA1 1893/4885KDM6B 1891/4885KDM2B 1684/4885
US-20030162764-A1 Pyrimidine A2b selective antagonist compounds, their synthesis and use ADORA2B, ADORA2A, ADORA3 GBA1 1733/4885KDM6B 1784/4885KDM2B 1410/4885

“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.