SCHEMBL4879351

SCHEMBL4879351

COC(C)(OC)c1ccncn1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.42
CYP3A4 P08684 2/20 0.39
HSP90AA1 P07900 1/20 0.38
CYP2D6 P10635 2/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CCNT1 O60563 1/20 0.31
CCNA2 P20248 1/20 0.31
CDK2 P24941 1/20 0.31
CDK9 P50750 1/20 0.31
CCNA1 P78396 1/20 0.31
CDK5 Q00535 1/20 0.31
CDK5R1 Q15078 1/20 0.31
KIF11 P52732 1/20 0.30
GPR119 Q8TDV5 1/20 0.30

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
SCHEMBL179269 0.79 CYP19A1 (0.46) CYP19A1CYP3A4HSP90AA1CYP2D6SMN1; SMN2
SCHEMBL27886405 0.76 CYP19A1 (0.47) CYP19A1CYP3A4HSP90AA1CYP2D6KIF11
SCHEMBL31691964 0.76 CYP19A1 (0.43) CYP19A1CYP3A4HSP90AA1CYP2D6KIF11
SCHEMBL85669 0.76 CYP19A1 (0.43) CYP19A1CYP3A4HSP90AA1CYP2D6KIF11
SCHEMBL16454356 0.76 CYP19A1 (0.43) CYP19A1CYP3A4HSP90AA1CYP2D6KIF11
SCHEMBL16091462 0.76 CYP19A1 (0.52) CYP19A1CYP3A4HSP90AA1CYP2D6SMN1; SMN2
SCHEMBL16454702 0.76 CYP19A1 (0.43) CYP19A1CYP3A4HSP90AA1CYP2D6KIF11
SCHEMBL11713071 0.73 CYP19A1 (0.36) CYP19A1CYP3A4
SCHEMBL23842473 0.72 CYP19A1 (0.41) CYP19A1CYP3A4HSP90AA1CYP2D6
SCHEMBL16677128 0.72 CYP19A1 (0.41) CYP19A1CYP3A4HSP90AA1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080015353-A1 PROCESS FOR PRODUCTION OF 4-ACETYLPYRIMIDINES AND CRYSTALS THEREOF AJINOMOTO CO., INC. (JP) 2008-01-17 US disclosed
EP-1849761-A1 PROCESS FOR PRODUCTION OF 4-ACETYLPYRIMIDINES AND CRYSTALS THEREOF Ajinomoto Co., Inc. (JP) 2007-10-31 EP 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-20080015353-A1 PROCESS FOR PRODUCTION OF 4-ACETYLPYRIMIDINES AND CRYSTALS THEREOF DPYD, UMPS, PNPO CYP19A1 2131/4885CYP3A4 12/4885HSP90AA1 4710/4885

“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.