SCHEMBL3163330

SCHEMBL3163330

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

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 2/20 0.48
▸ HPGD P15428 1/20 0.48
▸ ALDH1A1 P00352 3/20 0.47
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ LMNA P02545 2/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ SMN1; SMN2 Q16637 4/20 0.46
▸ HTT P42858 3/20 0.46
▸ SLC6A2 P23975 2/20 0.46
▸ SLC6A4 P31645 2/20 0.46
▸ ACHE P22303 1/20 0.45
▸ GAA P10253 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ POLB P06746 2/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ TMEM97 Q5BJF2 1/20 0.43

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
SCHEMBL3156155 0.94 MEN1 (0.43) NPSR1HPGDALDH1A1MEN1KMT2A
SCHEMBL3162785 0.94 MEN1 (0.54) NPSR1HPGDALDH1A1MEN1KMT2A
SCHEMBL3165416 0.93 HTT (0.42) NPSR1HPGDALDH1A1MEN1KMT2A
SCHEMBL3156575 0.93 ADORA3 (0.48) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL3172018 0.91 MEN1 (0.42) ALDH1A1MEN1KMT2A
SCHEMBL3155645 0.89 SMN1; SMN2 (0.40) NPSR1HPGDALDH1A1MEN1KMT2A
SCHEMBL3161449 0.88 DRD4 (0.49) ALDH1A1MEN1KMT2A
SCHEMBL3163746 0.87 ALDH1A1 (0.50) NPSR1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL3163144 0.86 ADORA3 (0.46) ALDH1A1MEN1KMT2ALMNAKDM4E
SCHEMBL3163125 0.86 NPC1 (0.47) NPSR1HPGDALDH1A1MEN1KMT2A

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 12 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 claimed
US-7501407-B2 Pyrimidine A2B selective antagonist compounds, their synthesis and use OSI PHARMACEUTICALS, INC. (US) 2009-03-10 — — US claimed
US-6916804-B2 Pyrimidine A2b selective antagonist compounds, their synthesis and use OSI PHARMACEUTICALS, INC. (US) 2005-07-12 — — US claimed
US-20030162764-A1 Pyrimidine A2b selective antagonist compounds, their synthesis and use OSI PHARMACEUTICALS, INC. 2003-08-28 — — US claimed
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
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 NPSR1 158/4885HPGD 2267/4885ALDH1A1 2146/4885
US-20030162764-A1 Pyrimidine A2b selective antagonist compounds, their synthesis and use ADORA2B, ADORA2A, ADORA3 NPSR1 163/4885HPGD 2375/4885ALDH1A1 1491/4885

“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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