SCHEMBL7220893

SCHEMBL7220893

CC(N)(c1cccnc1)c1ccc(C#N)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 15/20 0.44
CYP11B2 P19099 15/20 0.44
CYP3A4 P08684 2/20 0.42
CYP3A5 P20815 2/20 0.42
SLC22A12 Q96S37 1/20 0.40
CYP19A1 P11511 2/20 0.39

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
SCHEMBL4196221 0.76 CYP19A1 (0.55) CYP11B1CYP11B2CYP3A4CYP19A1
SCHEMBL5998609 0.76 CYP19A1 (0.43) CYP11B1CYP11B2CYP3A4CYP19A1
Hydrochloric Acid SCHEMBL20186907 0.74 CYP19A1 (0.53) CYP11B1CYP11B2CYP3A4CYP19A1
SCHEMBL7222091 0.74 FNTA (0.47) CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL7220637 0.73 FNTA (0.47) CYP11B1CYP11B2
SCHEMBL7221516 0.73 CYP11B1 (0.37) CYP11B1CYP11B2CYP3A4CYP3A5SLC22A12
SCHEMBL6000406 0.72 CYP19A1 (0.53) CYP3A4CYP3A5CYP19A1
SCHEMBL5999494 0.71 CYP19A1 (0.50) CYP11B1CYP11B2CYP3A4CYP19A1
SCHEMBL495417 0.71 TRPV4 (0.52) CYP11B1CYP11B2
SCHEMBL5998626 0.70 CYP19A1 (0.54) CYP11B1CYP11B2CYP3A4CYP19A1

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-6525074-B2 Peptidomimetic macrocyclic compounds which inhibit prenyl-protein transferase and the prenylation of the oncogene protein Ras MERCK & CO., INC. 2003-02-25 US disclosed
US-20020049217-A1 Inhibitors of prenyl-protein transferase MERCK SHARP & DOHME CORP. 2002-04-25 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-20020049217-A1 Inhibitors of prenyl-protein transferase FNTA, KRAS, NRAS CYP11B1 2070/4885CYP11B2 2682/4885CYP3A4 2657/4885

“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.