SCHEMBL3238041

SCHEMBL3238041

CC(C#N)Cc1cc(Cn2cncn2)cc(C(C)(C)C#N)c1

nearest known ligand 0.75

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 19/20 0.75
UGT1A4 P22310 1/20 0.75
PDE4D Q08499 1/20 0.75
ESR1 P03372 1/20 0.52
STS P08842 1/20 0.47

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
SCHEMBL6582591 0.89 CYP19A1 (0.55) CYP19A1UGT1A4PDE4D
Anastrozole SCHEMBL27927481 0.86 CYP19A1 (1.00) CYP19A1UGT1A4PDE4DESR1STS
Anastrozole SCHEMBL9726 0.86 CYP19A1 (1.00) CYP19A1UGT1A4PDE4DESR1STS
Anastrozole SCHEMBL177942 0.86 CYP19A1 (1.00) CYP19A1UGT1A4PDE4DESR1STS
Anastrozole SCHEMBL3172308 0.85 CYP19A1 (0.97) CYP19A1UGT1A4PDE4DESR1STS
Anastrozole SCHEMBL5917785 0.85 CYP19A1 (0.97) CYP19A1UGT1A4PDE4DESR1STS
Anastrozole SCHEMBL28771766 0.85 CYP19A1 (0.97) CYP19A1UGT1A4PDE4DESR1STS
SCHEMBL14542546 0.84 CYP19A1 (0.75) CYP19A1UGT1A4PDE4DESR1STS
SCHEMBL8069210 0.83 CYP19A1 (0.79) CYP19A1UGT1A4PDE4DESR1STS
SCHEMBL12908861 0.83 CYP19A1 (0.82) CYP19A1UGT1A4PDE4DESR1STS

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
CN-108997236-B Preparation method of anastrozole impurity 重庆华邦制药有限公司 2021-09-14 CN disclosed
CN-108997236-B Preparation method of anastrozole impurity 重庆华邦制药有限公司 2021-09-14 CN disclosed
US-20100111901-A1 TRIAZOLE INHIBITORS OF AROMATASE AUSPEX PHARMACEUTICALS, INC. (US) 2010-05-06 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-20100111901-A1 TRIAZOLE INHIBITORS OF AROMATASE CYP19A1, CYP17A1, HSD17B11 CYP19A1 1/4885UGT1A4 98/4885PDE4D 328/4885

“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.