SCHEMBL5480131

SCHEMBL5480131

CN(C)C=CC(=O)c1cccc(Cn2ccnc2)c1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 9/20 0.61
TBXAS1 P24557 2/20 0.55
CYP11B1 P15538 6/20 0.52
CYP11B2 P19099 6/20 0.52
AGTR2 P50052 2/20 0.51
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
HTT P42858 1/20 0.49
ADRA2C P18825 1/20 0.49

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
SCHEMBL5478998 0.80 CYP19A1 (0.73) CYP19A1TBXAS1CYP11B1CYP11B2AGTR2
SCHEMBL5481318 0.79 HDAC1 (0.60) CYP19A1ALDH1A1GAAMAPTHPGD
SCHEMBL9853963 0.79 CYP19A1 (0.80) CYP19A1TBXAS1CYP11B1CYP11B2AGTR2
SCHEMBL24247782 0.78 CYP19A1 (0.70) CYP19A1TBXAS1CYP11B1CYP11B2AGTR2
SCHEMBL20646872 0.77 CYP19A1 (0.68) CYP19A1TBXAS1CYP11B1CYP11B2AGTR2
SCHEMBL4051000 0.75 RXFP1 (0.56) TBXAS1ALDH1A1GAAMAPTHPGD
SCHEMBL4051003 0.75 RXFP1 (0.56) TBXAS1ALDH1A1GAAMAPTHPGD
SCHEMBL5480229 0.75 BCHE (0.62) ALDH1A1GAAMAPTHPGDHTT
SCHEMBL27993981 0.75 CYP19A1 (0.65) CYP19A1TBXAS1CYP11B1CYP11B2AGTR2
SCHEMBL5480128 0.74 TBXAS1 (0.74) CYP19A1TBXAS1CYP11B1CYP11B2ADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070021419-A1 2-Aminophenyl-4-phenylpyrimidines as kinase inhibitors CYCLACEL LIMITED (GB) 2007-01-25 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-20070021419-A1 2-Aminophenyl-4-phenylpyrimidines as kinase inhibitors GRK3, NCOR1, GRM3 CYP19A1 1511/4885TBXAS1 2364/4885CYP11B1 188/4885

“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.