SCHEMBL6661647

SCHEMBL6661647

Cc1ccncc1-n1ccc2c(-c3cccnc3)cccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.44
CYP11B2 P19099 3/20 0.42
DHPS P49366 1/20 0.41
CYP2E1 P05181 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2A6 P11509 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2B6 P20813 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAPT P10636 1/20 0.40
CYP17A1 P05093 8/20 0.39
CYP1A2 P05177 6/20 0.38
HTR3A P46098 2/20 0.38
CDC7 O00311 1/20 0.38
CDK2 P24941 1/20 0.38
HSD11B1 P28845 1/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
HPGD P15428 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
SCHEMBL6656515 0.91 CYP17A1 (0.47) CYP17A1CYP1A2HTR3AHSD11B1
SCHEMBL6845459 0.85 DHODH (0.41) CYP11B2MAPTCYP17A1CYP1A2CDC7
SCHEMBL6840591 0.85 CYP17A1 (0.52) CYP17A1CYP1A2
SCHEMBL6844416 0.83 CDC7 (0.41) CYP2E1CYP3A4CYP2D6CYP2A6CYP2C9
SCHEMBL6657600 0.83 CYP11B1 (0.43) CYP11B2CYP3A4CYP2D6CYP2C19CYP17A1
SCHEMBL6845971 0.82 SETD7 (0.41) CYP17A1CYP1A2HSD11B1
SCHEMBL6844285 0.82 CYP11B2 (0.42) CYP11B2CYP17A1CYP1A2CYP11B1
SCHEMBL6661929 0.81 MET (0.42) CYP3A4CYP2C9CYP2C19MAPTCYP1A2
SCHEMBL6846105 0.81 MAPK14 (0.49) MAPK14CYP11B2DHPSCYP2E1CYP3A4
SCHEMBL6846190 0.80 DHPS (0.44) MAPK14CYP11B2DHPSMAPTCYP17A1

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 MAPK14 3209/4885CYP11B2 53/4885DHPS 81/4885

“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.