SCHEMBL6845503

SCHEMBL6845503

N#Cc1ncccc1-c1ccc2c(ccn2-c2cccnc2)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.39
METAP2 P50579 1/20 0.39
CYP11B1 P15538 4/20 0.38
CYP11B2 P19099 4/20 0.38
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
CYP17A1 P05093 1/20 0.37
CDC7 O00311 1/20 0.36
PRKCI P41743 1/20 0.35
CYP2E1 P05181 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2A6 P11509 1/20 0.35
PTGER2 P43116 1/20 0.35
GRM1 Q13255 1/20 0.35
NR3C1 P04150 1/20 0.35
PTK2 Q05397 1/20 0.35
GRM5 P41594 1/20 0.34

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
SCHEMBL6652718 0.82 CYP2E1 (0.43) CYP19A1METAP2CYP11B1CYP11B2PRKCI
SCHEMBL6654549 0.79 CYP11B2 (0.53) CYP19A1CYP11B1CYP11B2CYP17A1CDC7
SCHEMBL6655938 0.78 TRPA1 (0.43) CYP19A1CYP11B1CYP11B2CYP3A4
SCHEMBL6659579 0.78 CYP11B1 (0.47) CYP19A1CYP11B1CYP11B2CYP2E1CYP3A4
SCHEMBL6663716 0.78 CYP11B2 (0.49) CYP19A1CYP11B1CYP11B2CYP17A1CDC7
SCHEMBL28107018 0.77 CYP19A1 (0.56) CYP19A1CYP11B1CYP11B2CYP17A1CDC7
SCHEMBL6846125 0.77 CYP11B2 (0.59) CYP19A1CYP11B1CYP11B2CYP17A1CYP3A4
SCHEMBL6661557 0.77 MAPT (0.53) CYP11B1CYP11B2CYP2E1CYP3A4CYP2A6
SCHEMBL6655119 0.76 CYP11B2 (0.51) CYP19A1CYP11B1CYP11B2CYP17A1CYP2E1
SCHEMBL6846113 0.76 CYP11B2 (0.48) CYP19A1CYP11B1CYP11B2CYP17A1CYP2E1

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 CYP19A1 9/4885METAP2 1775/4885CYP11B1 30/4885

“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.