SCHEMBL6466150

SCHEMBL6466150

Cc1c(C#N)c(-c2ccc(C#N)cc2)c(C)n1Cc1cnccn1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AR P10275 10/20 0.69
MAOB P27338 1/20 0.40
CYP11B2 P19099 5/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
CYP11B1 P15538 3/20 0.38
GRIN1 Q05586 1/20 0.37
GRIN2B Q13224 1/20 0.37
CYP19A1 P11511 1/20 0.36
RIPK3 Q9Y572 1/20 0.36

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
SCHEMBL6468311 0.84 AR (0.61) ARCYP11B2GRIN1GRIN2BCYP19A1
SCHEMBL6465272 0.81 AR (1.00) ARCYP11B2KDM4EALDH1A1HPGD
SCHEMBL6465872 0.81 AR (0.76) ARCYP11B2CYP11B1CYP19A1RIPK3
SCHEMBL6466490 0.81 AR (0.58) ARCYP11B2CYP11B1RIPK3
SCHEMBL6466987 0.79 AR (0.58) ARCYP11B2
SCHEMBL5362024 0.79 AR (0.58) ARCYP11B2
SCHEMBL6466733 0.79 AR (0.60) ARCYP11B2CYP11B1CYP19A1
SCHEMBL3083312 0.79 AR (0.46) ARMAOBCYP11B2KDM4EALDH1A1
SCHEMBL6464451 0.79 AR (0.80) ARCYP11B2CYP11B1GRIN1GRIN2B
SCHEMBL5362232 0.79 AR (0.61) ARCYP11B2KDM4EALDH1A1HPGD

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-20050101657-A1 Pyrrole derivatives for preventing or treating cancer sensitive to hormones; administered with luteininzing hormone releasing hormone derivative TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2005-05-12 US disclosed
EP-1466902-A1 ANDROGEN RECEPTOR ANTAGONISTS Takeda Chemical Industries, Ltd. (JP) 2004-10-13 EP 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-20050101657-A1 Pyrrole derivatives for preventing or treating cancer sensitive to hormones; administered with luteininzing hormone releasing hormone derivative SHBG, PRLHR, FSHR AR 6/4885MAOB 2070/4885CYP11B2 151/4885

“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.