SCHEMBL4557723

SCHEMBL4557723

O=C(NCc1ccc2c(c1)OCO2)C(=O)N1CCNCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ CHRM3 P20309 2/20 0.54
▸ ALDH1A1 P00352 4/20 0.52
▸ GAA P10253 2/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ LMNA P02545 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ MMP13 P45452 1/20 0.52
▸ HPGD P15428 3/20 0.51
▸ TP53 P04637 1/20 0.51
▸ CRHBP P24387 1/20 0.51
▸ RECQL P46063 1/20 0.51
▸ CRHR2 Q13324 1/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ CHRM1 P11229 1/20 0.51
▸ HSP90AA1 P07900 1/20 0.50
▸ POLB P06746 1/20 0.50

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
SCHEMBL179085 0.81 RAB9A (0.76) RAB9ASMN1; SMN2ALDH1A1GAAMEN1
SCHEMBL4557726 0.80 PPID (0.40) RAB9ASMN1; SMN2CHRM3ALDH1A1GAA
SCHEMBL16178753 0.77 CHRM3 (0.55) SMN1; SMN2CHRM3ALDH1A1GAALMNA
SCHEMBL3716025 0.75 CYP3A4 (0.60) SMN1; SMN2CHRM3ALDH1A1MEN1LMNA
SCHEMBL2937877 0.74 SMN1; SMN2 (0.70) RAB9ASMN1; SMN2ALDH1A1GAAMEN1
SCHEMBL5815420 0.73 SMN1; SMN2 (0.68) RAB9ASMN1; SMN2ALDH1A1GAAMEN1
SCHEMBL4991673 0.73 SMN1; SMN2 (0.73) RAB9ASMN1; SMN2ALDH1A1GAAMEN1
SCHEMBL7322125 0.73 SMN1; SMN2 (0.68) RAB9ASMN1; SMN2ALDH1A1GAAMEN1
SCHEMBL179082 0.73 HPGD (0.73) RAB9ASMN1; SMN2ALDH1A1GAAMEN1
SCHEMBL5470035 0.72 MEN1 (0.61) SMN1; SMN2ALDH1A1GAAMEN1LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20050119271-A1 Pyrimidine A2B selective antagonist compounds, their synthesis and use ADORA2B, ADORA2A, ADORA3 RAB9A 4250/4885SMN1; SMN2 2019/4885CHRM3 178/4885

“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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