SCHEMBL6653161

SCHEMBL6653161

CCS(=O)(=O)Nc1ccc2c(ccn2-c2cccnc2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRPF1 P55201 3/20 0.55
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTR2B P41595 1/20 0.44
RECQL P46063 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HTR2C P28335 1/20 0.43
BRD4 O60885 4/20 0.42
RXFP1 Q9HBX9 1/20 0.41
NAMPT P43490 3/20 0.40
MET P08581 1/20 0.40
HPGD P15428 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL6845979 0.88 BRPF1 (0.53) BRPF1MEN1KMT2AMAPTKDM4E
SCHEMBL6840525 0.86 NR1I2 (0.49) BRPF1KMT2ANAMPTCYP17A1NR1I2
SCHEMBL6844273 0.82 BRD4 (0.57) BRPF1MEN1KMT2AMAPTTDP1
SCHEMBL6840912 0.82 POLB (0.54) BRPF1MEN1KMT2AMAPTKDM4E
SCHEMBL7028408 0.81 ALDH1A1 (0.58) BRPF1MEN1KMT2AMAPTTP53
SCHEMBL21671905 0.81 MAPT (0.51) MEN1KMT2AMAPTKDM4ETP53
SCHEMBL22743609 0.80 CYP3A4 (0.44) MEN1KMT2AMAPTKDM4ETP53
SCHEMBL6656125 0.80 MEN1 (0.57) BRPF1MEN1KMT2AMAPTKDM4E
SCHEMBL6847813 0.79 KEAP1 (0.60) BRPF1MEN1KMT2AMAPTKDM4E
SCHEMBL6846145 0.79 ALDH1A1 (0.60) BRPF1MEN1KMT2AMAPTCYP1A2

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 BRPF1 2930/4885MEN1 943/4885KMT2A 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.