SCHEMBL5481317

SCHEMBL5481317

CN(C)C(=O)C=Cc1cccc(Cn2cncn2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.51
HDAC6 Q9UBN7 2/20 0.51
CYP19A1 P11511 7/20 0.48
TBXAS1 P24557 1/20 0.46
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43
KMT2A Q03164 1/20 0.43
APP P05067 1/20 0.42
STS P08842 2/20 0.41
LTB4R Q15722 1/20 0.39
LTB4R2 Q9NPC1 1/20 0.39
S1PR1 P21453 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA2C P18825 1/20 0.38
HTR1D P28221 1/20 0.38
HTR1B P28222 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HRH1 P35367 1/20 0.38
HTR2B P41595 1/20 0.38

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
SCHEMBL5478910 0.80 CCR1 (0.38) HDAC1HDAC6CYP19A1KMT2AAPP
SCHEMBL5480128 0.79 TBXAS1 (0.74) CYP19A1TBXAS1KMT2AADRA2C
SCHEMBL2562677 0.77 CYP19A1 (0.60) HDAC1HDAC6CYP19A1STS
SCHEMBL5481318 0.74 HDAC1 (0.60) HDAC1HDAC6CYP19A1KMT2ASTS
SCHEMBL5477569 0.74 HDAC4 (0.54) HDAC6CYP4F2CYP4A11APPLTB4R
SCHEMBL5480224 0.74 BCHE (0.54) CYP4F2CYP4A11APPLTB4RLTB4R2
SCHEMBL3115446 0.72 CYP19A1 (0.65) HDAC1HDAC6CYP19A1STS
SCHEMBL5479754 0.72 HDAC1 (0.71) HDAC1HDAC6CYP19A1KMT2ASTS
SCHEMBL3639750 0.71 HDAC1 (0.73) HDAC1HDAC6CYP19A1KMT2ASTS
SCHEMBL5478962 0.70 APP (0.52) HDAC1APPLTB4RLTB4R2

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-20070021419-A1 2-Aminophenyl-4-phenylpyrimidines as kinase inhibitors CYCLACEL LIMITED (GB) 2007-01-25 US disclosed
EP-1648875-A1 2-AMINOPHENYL-4-PHENYLPYRIMIDINES AS KINASE INHIBITORS Cyclacel Limited (GB) 2006-04-26 EP disclosed
WO-2005012262-A1 2-AMINOPHENYL-4-PHENYLPYRIMIDINES AS KINASE INHIBITORS CYCLACEL LIMITED (GB) 2005-02-10 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-20070021419-A1 2-Aminophenyl-4-phenylpyrimidines as kinase inhibitors GRK3, NCOR1, GRM3 HDAC1 498/4885HDAC6 1059/4885CYP19A1 1511/4885

“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.