SCHEMBL6845494

SCHEMBL6845494

COc1cc2c(ccn2-c2cnccc2C)cc1-c1cccnc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 5/20 0.46
CYP11B2 P19099 5/20 0.46
CYP19A1 P11511 3/20 0.44
CYP3A4 P08684 2/20 0.44
MKNK1 Q9BUB5 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
S1PR1 P21453 2/20 0.42
MAPT P10636 4/20 0.41
PDE10A Q9Y233 2/20 0.40
POLB P06746 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
PDE2A O00408 1/20 0.40
PDE5A O76074 1/20 0.40
PDE4A P27815 1/20 0.40
PDE11A Q9HCR9 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
CYP1A1 P04798 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP1B1 Q16678 1/20 0.39

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
SCHEMBL6662653 0.92 POLB (0.40) CYP11B1CYP11B2CYP19A1CYP3A4S1PR1
SCHEMBL6660298 0.79 CYP11B2 (0.55) CYP11B1CYP11B2CYP19A1MKNK1MKNK2
SCHEMBL6661647 0.74 MAPK14 (0.44) CYP11B1CYP11B2CYP3A4MAPTSMN1; SMN2
SCHEMBL3892970 0.73 IKBKB (0.56) CYP11B1CYP11B2CYP19A1CYP3A4MKNK1
SCHEMBL6654310 0.72 CYP11B1 (0.45) CYP11B1CYP11B2CYP19A1MAPTCYP1A2
SCHEMBL23326169 0.72 MKNK1 (0.56) CYP11B1CYP11B2CYP19A1CYP3A4MKNK1
SCHEMBL29775379 0.72 MKNK1 (0.56) CYP11B1CYP11B2CYP19A1CYP3A4MKNK1
SCHEMBL4506402 0.72 CYP11B1 (0.60) CYP11B1CYP11B2CYP19A1CYP3A4MKNK1
SCHEMBL6653590 0.72 CYP11B2 (0.49) CYP11B1CYP11B2CYP19A1CYP3A4MAPT
SCHEMBL6845462 0.72 MAPT (0.49) CYP11B1CYP11B2CYP19A1CYP3A4MAPT

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-20040236110-A1 Substituted 3-pyridyl indoles and indazoles as c17,20 lyase inhibitors BAYER PHARMACEUTICALS CORPORATION 2004-11-25 US 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 53/4885CYP19A1 9/4885

“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.