SCHEMBL13529263

SCHEMBL13529263

N#Cc1ccc(C2CCCc3cncn32)cc1N

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 15/20 0.66
CYP11B2 P19099 9/20 0.66
CYP11B1 P15538 4/20 0.66
KCNH2 Q12809 1/20 0.66

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
SCHEMBL13529262 0.86 CYP19A1 (0.66) CYP19A1CYP11B2CYP11B1KCNH2
SCHEMBL13524655 0.83 CYP11B2 (0.64) CYP19A1CYP11B2CYP11B1KCNH2
SCHEMBL13524663 0.83 CYP19A1 (0.62) CYP19A1CYP11B2CYP11B1KCNH2
SCHEMBL1039245 0.82 CYP19A1 (0.67) CYP19A1CYP11B2CYP11B1KCNH2
SCHEMBL13529265 0.81 CYP19A1 (0.60) CYP19A1CYP11B2CYP11B1KCNH2
Fadrozole SCHEMBL3295820 0.80 CYP19A1 (1.00) CYP19A1CYP11B2CYP11B1KCNH2
Fadrozole SCHEMBL25491 0.80 CYP19A1 (1.00) CYP19A1CYP11B2CYP11B1KCNH2
Dexfadrostat SCHEMBL685516 0.80 CYP19A1 (1.00) CYP19A1CYP11B2CYP11B1KCNH2
S-Fadrozole SCHEMBL13449014 0.80 CYP19A1 (1.00) CYP19A1CYP11B2CYP11B1KCNH2
SCHEMBL1041691 0.79 CYP19A1 (0.59) CYP19A1CYP11B2CYP11B1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100022467-A1 ANTI-CANCER PHOSPHONATE ANALOGS BOOJAMRA CONSTANTINE G 2010-01-28 US disclosed
US-20100022467-A1 ANTI-CANCER PHOSPHONATE ANALOGS BOOJAMRA CONSTANTINE G 2010-01-28 US disclosed
US-7452901-B2 Anti-cancer phosphonate analogs GILEAD SCIENCES, INC. (US) 2008-11-18 US disclosed
US-7452901-B2 Anti-cancer phosphonate analogs GILEAD SCIENCES, INC. (US) 2008-11-18 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-20100022467-A1 ANTI-CANCER PHOSPHONATE ANALOGS PIK3CA, PHOSPHO1, PTEN CYP19A1 2832/4885CYP11B2 4426/4885CYP11B1 4091/4885

“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.