SCHEMBL5430341

SCHEMBL5430341

N#Cc1ccc(C(c2ccc(Br)cc2)n2cncn2)cc1

nearest known ligand 0.85

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 20/20 0.85
CYP3A4 P08684 1/20 0.85
CYP11B1 P15538 1/20 0.85
TSHR P16473 1/20 0.85
CYP11B2 P19099 1/20 0.85
CYP2C19 P33261 1/20 0.85
STS P08842 4/20 0.60

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
Letrozole SCHEMBL178028 0.92 CYP19A1 (1.00) CYP19A1CYP3A4CYP11B1TSHRCYP11B2
Letrozole SCHEMBL4331 0.92 CYP19A1 (1.00) CYP19A1CYP3A4CYP11B1TSHRCYP11B2
Letrozole SCHEMBL29079510 0.92 CYP19A1 (1.00) CYP19A1CYP3A4CYP11B1TSHRCYP11B2
Letrozole SCHEMBL5326636 0.92 CYP19A1 (1.00) CYP19A1CYP3A4CYP11B1TSHRCYP11B2
Letrozole SCHEMBL28081077 0.91 CYP19A1 (0.97) CYP19A1CYP3A4CYP11B1TSHRCYP11B2
Letrozole SCHEMBL1026263 0.91 CYP19A1 (0.97) CYP19A1CYP3A4CYP11B1TSHRCYP11B2
SCHEMBL10075551 0.85 CYP19A1 (0.85) CYP19A1CYP3A4CYP11B1TSHRCYP11B2
SCHEMBL19661207 0.85 CYP19A1 (0.85) CYP19A1CYP3A4CYP11B1TSHRCYP11B2
SCHEMBL13285157 0.85 CYP19A1 (0.85) CYP19A1CYP3A4CYP11B1TSHRCYP11B2
Letrozole SCHEMBL29046442 0.83 CYP19A1 (0.81) CYP19A1CYP3A4CYP11B1TSHRCYP11B2

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-20070100149-A1 PROCESS FOR PREPARING LETROZOLE DR. REDDY'S LABORATORIES, INC. 2007-05-03 US disclosed
US-20070100149-A1 PROCESS FOR PREPARING LETROZOLE DR. REDDY'S LABORATORIES, INC. 2007-05-03 US disclosed
US-20070100149-A1 PROCESS FOR PREPARING LETROZOLE DR. REDDY'S LABORATORIES, INC. 2007-05-03 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-20070100149-A1 PROCESS FOR PREPARING LETROZOLE CYP19A1, CYP2C19, CYP17A1 CYP19A1 1/4885CYP3A4 4/4885CYP11B1 80/4885

“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.