SCHEMBL6845979

SCHEMBL6845979

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRPF1 P55201 3/20 0.53
MET P08581 3/20 0.48
KDM4E B2RXH2 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C19 P33261 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
MEN1 O00255 1/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
HTR2B P41595 1/20 0.46
RECQL P46063 1/20 0.46
KMT2A Q03164 1/20 0.46
HTR2C P28335 1/20 0.45
ALDH1A1 P00352 3/20 0.44
NAMPT P43490 1/20 0.43
TGFBR1 P36897 1/20 0.41
CYP17A1 P05093 3/20 0.40
BRD4 O60885 2/20 0.40

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
SCHEMBL6653161 0.88 BRPF1 (0.55) BRPF1METKDM4ECYP1A2CYP3A4
SCHEMBL6844273 0.84 BRD4 (0.57) BRPF1TDP1MEN1MAPTKMT2A
SCHEMBL6840912 0.84 POLB (0.54) BRPF1KDM4EMEN1MAPTKMT2A
SCHEMBL7028408 0.83 ALDH1A1 (0.58) BRPF1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL21671905 0.83 MAPT (0.51) KDM4ECYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL6656125 0.82 MEN1 (0.57) BRPF1KDM4EMEN1TP53MAPT
SCHEMBL6840525 0.82 NR1I2 (0.49) BRPF1KMT2ANAMPTCYP17A1
SCHEMBL6847813 0.81 KEAP1 (0.60) BRPF1KDM4ETDP1MEN1MAPT
SCHEMBL6846145 0.81 ALDH1A1 (0.60) BRPF1CYP1A2CYP3A4CYP2C19TDP1
SCHEMBL6844284 0.81 BRD1 (0.53) BRPF1MEN1MAPTKMT2ANAMPT

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 BRPF1 2930/4885MET 3547/4885KDM4E 970/4885

“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.