SCHEMBL6662653

SCHEMBL6662653

COc1cc2c(ccn2-c2cnccc2C)cc1-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPT P10636 3/20 0.39
CYP11B1 P15538 5/20 0.38
CYP11B2 P19099 5/20 0.38
CYP19A1 P11511 3/20 0.38
PTK2 Q05397 2/20 0.38
PGR P06401 1/20 0.38
IKBKB O14920 2/20 0.37
CYP17A1 P05093 1/20 0.37
CYP1A2 P05177 1/20 0.37
ATM Q13315 1/20 0.37
TLR8 Q9NR97 1/20 0.37
CYP3A4 P08684 1/20 0.36
S1PR1 P21453 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
SCHEMBL6845494 0.92 CYP11B1 (0.46) POLBSMN1; SMN2MAPTCYP11B1CYP11B2
SCHEMBL6654310 0.78 CYP11B1 (0.45) MAPTCYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL6661142 0.74 MAPT (0.39) SMN1; SMN2MAPTCYP11B1CYP11B2CYP19A1
SCHEMBL6656515 0.73 CYP17A1 (0.47) CYP17A1CYP1A2ATM
SCHEMBL6659082 0.73 CYP19A1 (0.47) MAPTCYP19A1
SCHEMBL6845462 0.73 MAPT (0.49) MAPTCYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL6653590 0.73 CYP11B2 (0.49) MAPTCYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL6660298 0.72 CYP11B2 (0.55) MAPTCYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL7104139 0.72 CYP11B1 (0.44) MAPTCYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL6840679 0.72 CYP11B1 (0.52) MAPTCYP11B1CYP11B2CYP19A1

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 POLB 2154/4885SMN1; SMN2 4413/4885MAPT 1659/4885

“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.