SCHEMBL3169426

SCHEMBL3169426

CC(=O)NCCNc1cc(NC(=O)CN2CCC(O)(c3ccc(Br)cc3)CC2)nc(-c2ccccc2)n1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.45
▸ MAPK1 P28482 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ HTT P42858 1/20 0.45
▸ ALDH1A1 P00352 4/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ TSHR P16473 1/20 0.41
▸ DRD2 P14416 1/20 0.40
▸ DRD4 P21917 1/20 0.40
▸ DRD3 P35462 1/20 0.40
▸ ACE2 Q9BYF1 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ ADORA3 P0DMS8 2/20 0.38
▸ ADORA2A P29274 2/20 0.38
▸ ADORA1 P30542 2/20 0.38
▸ ADORA2B P29275 1/20 0.38
▸ CCR1 P32246 1/20 0.38
▸ CYP1A2 P05177 1/20 0.37
▸ GPR119 Q8TDV5 1/20 0.37

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
SCHEMBL3165134 0.94 ALDH1A1 (0.48) POLBMAPK1SMN1; SMN2HTTALDH1A1
SCHEMBL3163863 0.92 POLB (0.45) POLBMAPK1SMN1; SMN2HTTALDH1A1
SCHEMBL3172100 0.85 OPRL1 (0.49) POLBMAPK1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL3170318 0.85 LMNA (0.42) POLBMAPK1SMN1; SMN2HTTALDH1A1
SCHEMBL3165247 0.85 OPRM1 (0.49) MAPK1SMN1; SMN2HTTALDH1A1DRD2
SCHEMBL3161434 0.85 ADORA1 (0.42) POLBMAPK1SMN1; SMN2HTTALDH1A1
SCHEMBL3162879 0.84 UTS2R (0.44) DRD2ADORA3ADORA2AADORA1ADORA2B
SCHEMBL3163125 0.83 NPC1 (0.47) POLBALDH1A1KDM4EADORA3ADORA2A
SCHEMBL3164709 0.83 NPC1 (0.47) POLBALDH1A1KDM4EADORA3ADORA2A
SCHEMBL3162386 0.83 OPRD1 (0.46) DRD2DRD3ADORA3ADORA2AADORA1

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 POLB 1210/4885MAPK1 3273/4885SMN1; SMN2 2019/4885
US-20030162764-A1 Pyrimidine A2b selective antagonist compounds, their synthesis and use ADORA2B, ADORA2A, ADORA3 POLB 937/4885MAPK1 3068/4885SMN1; SMN2 1908/4885

“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.

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