SCHEMBL13524701

SCHEMBL13524701

COCc1ncn(Cc2cc(C(C)(C)C#N)cc(C(C)(C)C#N)c2)n1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 12/20 0.54
UGT1A4 P22310 1/20 0.54
PDE4D Q08499 1/20 0.54
ESR1 P03372 1/20 0.37
STS P08842 1/20 0.35

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
SCHEMBL13531036 0.87 CYP19A1 (0.51) CYP19A1UGT1A4PDE4DESR1STS
SCHEMBL13524699 0.84 CYP19A1 (0.55) CYP19A1UGT1A4PDE4DESR1STS
SCHEMBL13530998 0.80 CYP19A1 (0.60) CYP19A1UGT1A4PDE4DESR1STS
Bromide SCHEMBL8072708 0.78 CYP19A1 (0.58) CYP19A1UGT1A4PDE4DESR1STS
SCHEMBL13524700 0.76 CYP19A1 (0.50) CYP19A1UGT1A4PDE4DESR1STS
SCHEMBL13529283 0.76 CYP19A1 (0.55) CYP19A1UGT1A4PDE4DESR1STS
SCHEMBL13529281 0.75 CYP19A1 (0.54) CYP19A1UGT1A4PDE4DESR1STS
SCHEMBL13524702 0.74 CYP19A1 (0.53) CYP19A1UGT1A4PDE4DESR1STS
SCHEMBL13529282 0.73 CYP19A1 (0.49) CYP19A1UGT1A4PDE4DESR1STS
SCHEMBL13524698 0.72 CYP19A1 (0.51) 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
US-20100022467-A1 ANTI-CANCER PHOSPHONATE ANALOGS BOOJAMRA CONSTANTINE G 2010-01-28 US disclosed
US-7645747-B2 Improved pharmacokinetic properties, oral bioavailability; side effect reduction GILEAD SCIENCES, INC. (US) 2010-01-12 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 2832/4885UGT1A4 2631/4885PDE4D 2519/4885

“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.