SCHEMBL3164709

SCHEMBL3164709

CC(=O)NCCNc1cc(NC(=O)CN2CCCCC2)nc(-c2ccccc2)n1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.47
▸ ALDH1A1 P00352 4/20 0.47
▸ ADORA1 P30542 7/20 0.45
▸ ADORA2A P29274 6/20 0.45
▸ ADORA3 P0DMS8 4/20 0.45
▸ ADORA2B P29275 1/20 0.45
▸ JAK3 P52333 1/20 0.45
▸ KDM4E B2RXH2 3/20 0.45
▸ ESR1 P03372 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ KDR P35968 1/20 0.42
▸ GSK3B P49841 1/20 0.42
▸ DYRK1A Q13627 1/20 0.42

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
SCHEMBL3163125 1.00 NPC1 (0.47) NPC1ALDH1A1ADORA1ADORA2AADORA3
SCHEMBL3260230 0.92 ADORA3 (0.46) ALDH1A1ADORA1ADORA2AADORA3ADORA2B
SCHEMBL3171920 0.91 ADORA1 (0.47) ALDH1A1ADORA1ADORA2AADORA3ADORA2B
SCHEMBL3156207 0.91 ALDH1A1 (0.48) ALDH1A1ADORA1ADORA2AADORA3ADORA2B
SCHEMBL3163144 0.90 ADORA3 (0.46) ALDH1A1ADORA1ADORA2AADORA3ADORA2B
SCHEMBL3164858 0.90 ALDH1A1 (0.49) NPC1ALDH1A1ADORA1ADORA2AJAK3
SCHEMBL3175543 0.90 EGFR (0.50) ALDH1A1JAK3KDM4EMEN1MAPT
SCHEMBL3171949 0.90 PARP1 (0.47) ALDH1A1ADORA1ADORA2AADORA3ADORA2B
SCHEMBL3163746 0.89 ALDH1A1 (0.50) ALDH1A1ADORA1ADORA2AADORA3ADORA2B
SCHEMBL3162425 0.89 EGFR (0.53) ALDH1A1JAK3KDM4EMEN1MAPT

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 6 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-6916804-B2 Pyrimidine A2b selective antagonist compounds, their synthesis and use OSI PHARMACEUTICALS, INC. (US) 2005-07-12 — — 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 (1 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-20030162764-A1 Pyrimidine A2b selective antagonist compounds, their synthesis and use ADORA2B, ADORA2A, ADORA3 NPC1 981/4885ALDH1A1 1491/4885ADORA1 4/4885

“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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