SCHEMBL6656539

SCHEMBL6656539

Cc1ccncc1-n1cc(C#N)c2cc(-c3cccc(C#N)c3)ccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.40
CYP11B2 P19099 2/20 0.40
NEK1 Q96PY6 1/20 0.39
TEK Q02763 1/20 0.38
ELANE P08246 2/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA5 P30532 1/20 0.38
CHRNA4 P43681 1/20 0.38
ALDH1A1 P00352 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
HIF1A Q16665 1/20 0.37
HSD17B10 Q99714 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
SCHEMBL6660394 0.91 CYP11B1 (0.41) CYP11B1CYP11B2NEK1TEKCHRNB2
SCHEMBL6660680 0.87 CYP11B1 (0.38) CYP11B1CYP11B2NEK1TEKCHRNB2
SCHEMBL6847436 0.84 CYP11B1 (0.48) CYP11B1CYP11B2
SCHEMBL6658837 0.83 CYP11B2 (0.46) CYP11B1CYP11B2TEKCHRNB2CHRNA5
SCHEMBL6657600 0.80 CYP11B1 (0.43) CYP11B1CYP11B2NEK1TEKCHRNB2
SCHEMBL6659801 0.78 CYP1A2 (0.40) CYP11B1CYP11B2NEK1TEKCHRNB2
SCHEMBL6684921 0.76 CYP11B2 (0.49) CYP11B1CYP11B2TEKCHRNB2CHRNA5
SCHEMBL2719580 0.74 NEK1 (0.43) CYP11B1CYP11B2NEK1CHRNB2CHRNA5
SCHEMBL6846055 0.73 CYP11B1 (0.46) CYP11B1CYP11B2TEKCHRNB2CHRNA5
SCHEMBL6844285 0.73 CYP11B2 (0.42) CYP11B1CYP11B2CYP1A2CYP17A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040236110-A1 Substituted 3-pyridyl indoles and indazoles as c17,20 lyase inhibitors BAYER PHARMACEUTICALS CORPORATION 2004-11-25 US disclosed
EP-1432698-A2 SUBSTITUTED 3-PYRIDYL INDOLES AND INDAZOLES AS C17,20 LYASE INHIBITORS Bayer Pharmaceuticals Corporation (US) 2004-06-30 EP disclosed
WO-2003027094-A2 SUBSTITUTED 3-PYRIDYL INDOLES AND INDAZOLES AS C17,20 LYASE INHIBITORS BAYER PHARMACEUTICALS CORPORATION (US) 2003-04-03 WO 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-20040236110-A1 Substituted 3-pyridyl indoles and indazoles as c17,20 lyase inhibitors CYP17A1, IDO1, CYP21A2 CYP11B1 30/4885CYP11B2 53/4885NEK1 2197/4885

“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.