SCHEMBL3156798

SCHEMBL3156798

CC(=O)NCCNc1cc(NC(=O)CN2CCN(Cc3cccc(F)c3)CC2)nc(-c2ccccc2)n1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ FAAH O00519 1/20 0.45
▸ ALDH1A1 P00352 7/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ SIGMAR1 Q99720 1/20 0.42
▸ PHGDH O43175 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ ADORA3 P0DMS8 1/20 0.42
▸ POLB P06746 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
SCHEMBL3165011 0.98 MEN1 (0.46) MEN1KMT2AFAAHALDH1A1SMN1; SMN2
SCHEMBL3163746 0.92 ALDH1A1 (0.50) MEN1KMT2AALDH1A1SMN1; SMN2HSD17B10
SCHEMBL3165778 0.90 ALDH1A1 (0.49) MEN1KMT2AFAAHALDH1A1SMN1; SMN2
SCHEMBL3156207 0.90 ALDH1A1 (0.48) MEN1KMT2AALDH1A1SMN1; SMN2HSD17B10
SCHEMBL3161106 0.90 ACHE (0.48) FAAHALDH1A1SIGMAR1PHGDHMAPT
Hydrochloric Acid SCHEMBL3175886 0.89 ALDH1A1 (0.48) MEN1KMT2AFAAHALDH1A1SMN1; SMN2
SCHEMBL3171582 0.89 MEN1 (0.47) MEN1KMT2AALDH1A1GAAMAPT
SCHEMBL3156070 0.89 TSHR (0.54) MEN1KMT2AFAAHALDH1A1SMN1; SMN2
SCHEMBL3165572 0.88 ALDH1A1 (0.42) MEN1KMT2AALDH1A1SIGMAR1ADORA3
SCHEMBL13920216 0.88 ALDH1A1 (0.47) MEN1KMT2AFAAHALDH1A1SMN1; SMN2

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 13 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
CN-1620294-A Pyrimidine A2BSelective antagonist compounds, their synthesis and use OSI PHARM INC (US) 2005-05-25 — — CN 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-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
US-20030162764-A1 Pyrimidine A2b selective antagonist compounds, their synthesis and use OSI PHARMACEUTICALS, INC. 2003-08-28 — — US 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 MEN1 4340/4885KMT2A 2079/4885FAAH 1448/4885
US-20030162764-A1 Pyrimidine A2b selective antagonist compounds, their synthesis and use ADORA2B, ADORA2A, ADORA3 MEN1 4670/4885KMT2A 2134/4885FAAH 1193/4885

“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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