SCHEMBL6466490

SCHEMBL6466490

Cc1c(C#N)c(-c2ccc(C#N)cc2)c(C)n1Cc1ccc(O)cn1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AR P10275 10/20 0.58
MMP3 P08254 1/20 0.39
DEGS1 O15121 1/20 0.39
CYP11B2 P19099 3/20 0.38
RIPK3 Q9Y572 1/20 0.37
GRIA2 P42262 1/20 0.35
GRIA4 P48058 1/20 0.35
CA12 O43570 1/20 0.35
CA2 P00918 1/20 0.35
CA3 P07451 1/20 0.35
CA6 P23280 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CYP11B1 P15538 1/20 0.34

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
SCHEMBL6468411 0.90 AR (0.48) ARMMP3DEGS1CYP11B2GRIA2
SCHEMBL6464082 0.89 AR (0.47) ARMMP3DEGS1CYP11B2RIPK3
SCHEMBL24411088 0.81 AR (0.76) ARMMP3CYP11B2CA12CA2
SCHEMBL6466150 0.81 AR (0.69) ARCYP11B2RIPK3CYP11B1
SCHEMBL6468311 0.80 AR (0.61) ARCYP11B2RIPK3
SCHEMBL4919002 0.79 AR (0.70) ARCYP11B2CYP11B1
SCHEMBL6466987 0.77 AR (0.58) ARCYP11B2GRIA2GRIA4
SCHEMBL6466733 0.77 AR (0.60) ARCYP11B2GRIA2GRIA4CYP11B1
SCHEMBL5362024 0.77 AR (0.58) ARCYP11B2GRIA2GRIA4
SCHEMBL6466398 0.77 AR (0.56) ARCYP11B2GRIA2GRIA4CYP11B1

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 6/4885MMP3 1226/4885DEGS1 4066/4885

“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.