SCHEMBL6469620

SCHEMBL6469620

Cc1[nH]cc(-c2ccc(C#N)cc2)c1C#N

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 4/20 0.42
CYP2A6 P11509 2/20 0.42
ALDH1A1 P00352 1/20 0.42
DHODH Q02127 1/20 0.40
KIF11 P52732 2/20 0.39
MMP3 P08254 1/20 0.38
AR P10275 1/20 0.37
GAA P10253 1/20 0.37
SLC22A12 Q96S37 1/20 0.36
KIT P10721 1/20 0.36
KDM1A O60341 2/20 0.35
PIM1 P11309 1/20 0.35
PIM3 Q86V86 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
PTGS1 P23219 1/20 0.35
PGR P06401 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
SCHEMBL13488602 0.84 KDM4E (0.48) ALDH1A1GAAPIM1
SCHEMBL12456737 0.84 ALDH1A1 (0.49) ALDH1A1GAA
SCHEMBL5370251 0.76 HTT (0.49) CYP11B2MMP3ARSLC22A12KDM1A
SCHEMBL6469331 0.74 HTT (0.44) CYP11B2KDM1A
SCHEMBL5366395 0.74 CYP2A6 (0.45) CYP11B2CYP2A6ALDH1A1KIF11MMP3
SCHEMBL6464873 0.72 HTT (0.68) ALDH1A1MMP3ARSLC22A12KIT
SCHEMBL4914070 0.71 HSP90AB1 (0.43) CYP11B2CYP2A6ALDH1A1DHODHKIF11
SCHEMBL1905542 0.70 ADORA1 (0.46) CYP2A6ALDH1A1GAA
SCHEMBL23625539 0.69 ALDH1A1 (0.59) CYP11B2CYP2A6ALDH1A1KIF11MMP3
SCHEMBL4921058 0.69 ALDH1A1 (0.45) CYP11B2CYP2A6ALDH1A1KIF11MMP3

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 CYP11B2 151/4885CYP2A6 915/4885ALDH1A1 2144/4885

“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.