SCHEMBL6469613

SCHEMBL6469613

Cc1c(-c2ccc(C#N)cc2)c(C)n(Cc2ccc(C#N)cc2)c1C(=O)N(C)C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 8/20 0.57
PTGDR2 Q9Y5Y4 1/20 0.40
KLKB1 P03952 1/20 0.40
KLK1 P06870 1/20 0.40
MAPT P10636 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
TSHR P16473 2/20 0.38
NSD2 O96028 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP2D6 P10635 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
GRIA2 P42262 1/20 0.37
GRIA4 P48058 1/20 0.37
PDK1 Q15118 1/20 0.37
PDK2 Q15119 1/20 0.37
PDK3 Q15120 1/20 0.37
PDK4 Q16654 1/20 0.37
CYP19A1 P11511 1/20 0.37

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
SCHEMBL6466939 0.86 AR (0.67) ARPTGDR2KLKB1KLK1MAPT
SCHEMBL6466315 0.85 AR (0.59) ARPTGDR2KLKB1KLK1MAPT
SCHEMBL6466328 0.83 AR (0.57) ARPTGDR2KLKB1KLK1MAPT
SCHEMBL6466727 0.81 AR (0.60) ARPTGDR2MAPTNSD2LMNA
SCHEMBL6469623 0.81 AR (0.77) ARPTGDR2KLKB1KLK1TSHR
SCHEMBL6889022 0.79 AR (0.68) ARPTGDR2KLKB1KLK1TSHR
SCHEMBL6464447 0.78 AR (0.53) ARMAPTTDP1TSHRNSD2
SCHEMBL6469698 0.78 AR (0.61) ARPTGDR2MAPTTDP1TSHR
SCHEMBL6467843 0.78 AR (0.51) ARTSHRSMN1; SMN2CYP2D6MEN1
SCHEMBL6469536 0.76 AR (0.74) ARMAPTTDP1NSD2LMNA

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 6/4885PTGDR2 150/4885KLKB1 2143/4885

“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.