SCHEMBL6658243

SCHEMBL6658243

c1ccc(Nc2ccc3c(ccn3-c3cccnc3)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.47
CYP3A4 P08684 3/20 0.45
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
MAPT P10636 1/20 0.45
CYP2C19 P33261 1/20 0.45
HTR2B P41595 1/20 0.45
RECQL P46063 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CYP17A1 P05093 1/20 0.45
HTR2C P28335 1/20 0.44
AURKA O14965 2/20 0.42
CDK4 P11802 1/20 0.42
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL17740780 0.87 DHODH (0.51) DHODHCYP3A4KMT2AKDM4EMEN1
SCHEMBL21671905 0.83 MAPT (0.51) DHODHCYP3A4KMT2AKDM4EMEN1
SCHEMBL6844273 0.80 BRD4 (0.57) KMT2AMEN1MAPTTDP1ALDH1A1
SCHEMBL22743609 0.80 CYP3A4 (0.44) DHODHCYP3A4KMT2AKDM4EMEN1
SCHEMBL6655119 0.79 CYP11B2 (0.51) CYP3A4CYP17A1KDM4CCYP2A6PLA2G4A
SCHEMBL6845979 0.78 BRPF1 (0.53) CYP3A4KMT2AKDM4EMEN1TP53
SCHEMBL6840525 0.78 NR1I2 (0.49) KMT2ACYP17A1ROCK1HDAC8NAMPT
SCHEMBL15712227 0.77 DHODH (0.49) DHODHCYP3A4KMT2AKDM4EMEN1
SCHEMBL22515748 0.77 CYP11B2 (0.49) CYP3A4CYP17A1KDM4CCYP2A6PLA2G4A
SCHEMBL6653161 0.76 BRPF1 (0.55) CYP3A4KMT2AKDM4EMEN1TP53

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 DHODH 121/4885CYP3A4 98/4885KMT2A 1387/4885

“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.