SCHEMBL4559547

SCHEMBL4559547

O=C(Nc1ccccc1)C(O)N1CCNCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.56
CYP1A2 P05177 2/20 0.47
CYP2D6 P10635 1/20 0.47
OPRD1 P41143 5/20 0.46
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
MAPT P10636 4/20 0.43
LMNA P02545 2/20 0.43
HTR1E P28566 1/20 0.43
S1PR3 Q99500 1/20 0.43
CYP3A4 P08684 1/20 0.43
SIGMAR1 Q99720 1/20 0.42
ALDH1A1 P00352 3/20 0.41
CCNC P24863 1/20 0.41
CDK8 P49336 1/20 0.41
GAA P10253 1/20 0.41
ATM Q13315 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL8475563 0.86 POLB (0.55) POLBCYP1A2CYP2D6OPRD1MEN1
SCHEMBL4558588 0.83 POLB (0.55) POLBCYP1A2CYP2D6OPRD1MEN1
SCHEMBL4557808 0.83 POLB (0.55) POLBCYP1A2CYP2D6OPRD1MEN1
SCHEMBL4558787 0.80 POLB (0.51) POLBCYP1A2CYP2D6OPRD1MEN1
SCHEMBL4559234 0.79 POLB (0.50) POLBCYP1A2CYP2D6OPRD1MEN1
SCHEMBL656655 0.73 POLB (0.97) POLBCYP1A2CYP2D6MAPTCYP3A4
SCHEMBL7504156 0.72 POLB (0.93) POLBCYP1A2CYP2D6MAPTCYP3A4
Hydrochloric Acid SCHEMBL3851668 0.72 POLB (1.00) POLBCYP1A2CYP2D6MAPTCYP3A4
SCHEMBL5565030 0.72 MAPT (0.49) POLBCYP1A2CYP2D6MEN1KMT2A
SCHEMBL793647 0.70 ALDH1A1 (0.68) POLBMEN1KMT2ALMNAALDH1A1

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 POLB 1210/4885CYP1A2 402/4885CYP2D6 501/4885

“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.