SCHEMBL6845997

SCHEMBL6845997

Cc1ccncc1-n1ncc2cc(-c3cccnc3)cc(C)c21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 6/20 0.39
CYP11B1 P15538 5/20 0.39
CYP19A1 P11511 5/20 0.39
CYP17A1 P05093 3/20 0.39
CYP2A6 P11509 5/20 0.39
ALDH1A1 P00352 3/20 0.39
CYP3A4 P08684 2/20 0.39
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
CYP1A2 P05177 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MAPT P10636 2/20 0.38
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP2E1 P05181 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2B6 P20813 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL6844370 0.83 CYP11B1 (0.43) CYP11B2CYP11B1CYP17A1CYP3A4CYP1A2
Trifluoroacetic Acid SCHEMBL6657105 0.73 L3MBTL1 (0.46) CYP11B2CYP11B1CYP19A1MKNK1MKNK2
SCHEMBL6846192 0.69 CYP2A6 (0.44) CYP11B2CYP11B1CYP19A1CYP17A1CYP2A6
SCHEMBL6660298 0.69 CYP11B2 (0.55) CYP11B2CYP11B1CYP19A1CYP17A1MKNK1
SCHEMBL15839178 0.69 CYP17A1 (0.45) CYP11B2CYP11B1CYP17A1MKNK1MKNK2
SCHEMBL13036623 0.69 CYP2A6 (0.62) CYP11B2CYP11B1CYP19A1CYP17A1CYP2A6
SCHEMBL18561787 0.67 CYP11B1 (0.58) CYP11B2CYP11B1CYP19A1CYP17A1CYP2A6
SCHEMBL15262718 0.66 CYP2A6 (0.58) CYP11B2CYP11B1CYP19A1CYP17A1CYP2A6
SCHEMBL19594479 0.66 CYP2A6 (0.58) CYP11B2CYP11B1CYP19A1CYP2A6ALDH1A1
SCHEMBL15984859 0.65 CYP2A6 (0.62) CYP11B2CYP11B1CYP19A1CYP17A1CYP2A6

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-20040236110-A1 Substituted 3-pyridyl indoles and indazoles as c17,20 lyase inhibitors BAYER PHARMACEUTICALS CORPORATION 2004-11-25 US disclosed
US-20040224945-A1 Novel substituted pyrazole derivatives BAYER HEALTHCARE AG (DE) 2004-11-11 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 (2 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 CYP11B2 53/4885CYP11B1 30/4885CYP19A1 9/4885
US-20040224945-A1 Novel substituted pyrazole derivatives CYP11B2, CYP11B1, ADRB3 CYP11B2 1/4885CYP11B1 2/4885CYP19A1 896/4885

“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.