SCHEMBL6659693

SCHEMBL6659693

Cc1ccncc1-c1ccc2c(ccn2-c2cccc(C#N)c2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 4/20 0.59
CYP11B2 P19099 4/20 0.59
ABL1 P00519 3/20 0.44
CYP19A1 P11511 3/20 0.44
PTK2 Q05397 1/20 0.39
CHRNB2 P17787 1/20 0.38
CHRNA5 P30532 1/20 0.38
CHRNA4 P43681 1/20 0.38
SLC22A12 Q96S37 1/20 0.38
GRM5 P41594 1/20 0.38
CDC7 O00311 2/20 0.38
CDK2 P24941 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
ALOX15 P16050 1/20 0.38
CYP2C19 P33261 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
IRAK4 Q9NWZ3 2/20 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
SCHEMBL6840702 0.84 CYP11B1 (0.59) CYP11B1CYP11B2ABL1CYP19A1CYP1A2
SCHEMBL6844281 0.82 CYP11B2 (0.57) CYP11B1CYP11B2CYP19A1PTK2CHRNB2
SCHEMBL6658837 0.81 CYP11B2 (0.46) CYP11B1CYP11B2CYP19A1CHRNB2CHRNA5
SCHEMBL6665169 0.81 CYP17A1 (0.49) CYP11B1CYP11B2CYP19A1CYP1A2
SCHEMBL6846122 0.80 CYP11B1 (0.58) CYP11B1CYP11B2ABL1
SCHEMBL6654549 0.80 CYP11B2 (0.53) CYP11B1CYP11B2CYP19A1CHRNB2CHRNA5
SCHEMBL6655307 0.80 CYP11B1 (0.52) CYP11B1CYP11B2ABL1CYP19A1PTK2
SCHEMBL5557829 0.77 CYP11B1 (0.69) CYP11B1CYP11B2ABL1CHRNB2CHRNA5
SCHEMBL6847482 0.77 CYP11B1 (0.62) CYP11B1CYP11B2ABL1CYP19A1
SCHEMBL22515998 0.76 ENPP3 (0.41) PTK2GRM5CDC7CDK2

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 53/4885ABL1 952/4885

“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.