SCHEMBL3162879

SCHEMBL3162879

CC(=O)NCCNc1cc(NC(=O)CN2CCC(O)(Cc3ccccc3)CC2)nc(-c2ccccc2)n1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ UTS2R Q9UKP6 10/20 0.44
▸ ADRA2A P08913 1/20 0.44
▸ DRD2 P14416 1/20 0.44
▸ SLC6A2 P23975 1/20 0.44
▸ HTR2A P28223 1/20 0.44
▸ HTR2C P28335 1/20 0.44
▸ SLC6A4 P31645 1/20 0.44
▸ TMEM97 Q5BJF2 1/20 0.44
▸ SIGMAR1 Q99720 1/20 0.44
▸ ADORA3 P0DMS8 5/20 0.41
▸ ADORA2B P29275 4/20 0.41
▸ ADORA2A P29274 3/20 0.41
▸ ADORA1 P30542 3/20 0.41
▸ CHRM4 P08173 1/20 0.39
▸ GRIN2B Q13224 1/20 0.39

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
SCHEMBL3165120 0.94 UTS2R (0.39) UTS2RADRA2ADRD2SLC6A2HTR2A
SCHEMBL3165572 0.93 ALDH1A1 (0.42) UTS2RADRA2ADRD2SLC6A2HTR2A
SCHEMBL3155741 0.93 ADORA3 (0.48) ADORA3ADORA2BGRIN2B
SCHEMBL3174273 0.91 TSHR (0.46) ADORA3ADORA2BADORA2AADORA1GRIN2B
SCHEMBL3165134 0.88 ALDH1A1 (0.48) ADORA3ADORA2BADORA2AADORA1
SCHEMBL3163746 0.87 ALDH1A1 (0.50) ADORA3ADORA2BADORA2AADORA1
SCHEMBL3164900 0.86 ADORA2B (0.42) UTS2RADRA2ADRD2SLC6A2HTR2A
SCHEMBL3164709 0.85 NPC1 (0.47) ADORA3ADORA2BADORA2AADORA1
SCHEMBL3163125 0.85 NPC1 (0.47) ADORA3ADORA2BADORA2AADORA1
SCHEMBL3170318 0.85 LMNA (0.42) ADORA3ADORA2BADORA2AADORA1

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 11 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-7501407-B2 Pyrimidine A2B selective antagonist compounds, their synthesis and use OSI PHARMACEUTICALS, INC. (US) 2009-03-10 — — US 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 UTS2R 67/4885ADRA2A 26/4885DRD2 390/4885
US-20030162764-A1 Pyrimidine A2b selective antagonist compounds, their synthesis and use ADORA2B, ADORA2A, ADORA3 UTS2R 93/4885ADRA2A 24/4885DRD2 283/4885

“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.

Send feedback