SCHEMBL6466819

SCHEMBL6466819

COc1cc(-c2ccc(C#N)cc2)cc(N)n1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.52
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
HSD11B1 P28845 2/20 0.43
EGLN2 Q96KS0 1/20 0.42
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPKAPK2 P49137 1/20 0.39
MAP4K4 O95819 1/20 0.39
KIF11 P52732 1/20 0.39
MMP3 P08254 1/20 0.38
ADORA1 P30542 1/20 0.38
CYP1A1 P04798 1/20 0.38
CYP1B1 Q16678 1/20 0.38
F2RL3 Q96RI0 1/20 0.37
DYRK1A Q13627 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
SCHEMBL20052564 0.81 CYP11B1 (0.40) HRH4CYP2C9CYP2C19CYP11B1CYP11B2
SCHEMBL6465009 0.79 ABL1 (0.50) DYRK1A
SCHEMBL31243788 0.79 SLC2A1 (0.42) L3MBTL1DYRK1A
SCHEMBL18123833 0.76 MAPKAPK2 (0.46) HRH4CYP2C9CYP2C19L3MBTL1MAPKAPK2
SCHEMBL18107727 0.74 DYRK1A (0.49) HRH4CYP2C9CYP2C19EGLN2L3MBTL1
SCHEMBL6466797 0.73 DYRK1A (0.48) L3MBTL1ADORA1CYP1B1F2RL3DYRK1A
SCHEMBL6461239 0.73 PDGFRB (0.48) F2RL3
SCHEMBL7282985 0.70 ALDH1A1 (0.71) CYP2C9CYP2C19L3MBTL1MAP4K4KIF11
SCHEMBL27439869 0.69 GABRG2 (0.59) ADORA1
SCHEMBL16789941 0.69 MMP3 (0.64) CYP11B2MAP4K4KIF11MMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050182105-A1 Method of using 3-cyano-4-arylpyridine derivatives as modulators of androgen receptor function BRISTOL-MYERS SQUIBB COMPANY 2005-08-18 US claimed

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-20050182105-A1 Method of using 3-cyano-4-arylpyridine derivatives as modulators of androgen receptor function NR3C2, NR4A3, NR3C1 HRH4 185/4885CYP2C9 860/4885CYP2C19 882/4885

“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.