SCHEMBL6846191

SCHEMBL6846191

c1ccc(-n2ccc3c(-c4cccnc4)cccc32)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHPS P49366 2/20 0.50
MAPK14 Q16539 1/20 0.47
DYRK1A Q13627 2/20 0.46
CYP11B2 P19099 3/20 0.43
TNF P01375 1/20 0.42
ALDH1A1 P00352 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HTR6 P50406 2/20 0.41
CYP11B1 P15538 2/20 0.41
HSD11B1 P28845 1/20 0.41
MAPT P10636 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KCNA5 P22460 1/20 0.40
GAA P10253 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2A6 P11509 1/20 0.39
GSK3B P49841 1/20 0.39
KCNH2 Q12809 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
SCHEMBL6846105 0.94 MAPK14 (0.49) DHPSMAPK14DYRK1ACYP11B2ALDH1A1
SCHEMBL6847772 0.93 DYRK1A (0.47) DHPSMAPK14DYRK1ACYP11B2TNF
SCHEMBL6663847 0.85 MAPK14 (0.43) DHPSMAPK14CYP11B2ALDH1A1CYP11B1
SCHEMBL7021321 0.85 MAPT (0.44) DHPSMAPK14DYRK1ACYP11B2CYP11B1
SCHEMBL7962053 0.85 HTR6 (0.51) MAPK14DYRK1ATNFL3MBTL1HTR6
SCHEMBL6845658 0.82 VHL (0.47) DHPSMAPK14CYP11B2CYP11B1MAPT
SCHEMBL6844276 0.81 CDC7 (0.44) DHPSMAPK14CYP11B2ALDH1A1CYP11B1
SCHEMBL6846190 0.81 DHPS (0.44) DHPSMAPK14CYP11B2ALDH1A1CYP11B1
SCHEMBL6840695 0.81 NPY5R (0.44) DYRK1AKCNA5KCNH2
SCHEMBL6657827 0.81 CYP17A1 (0.41) MAPK14DYRK1ACYP11B2HTR6CYP11B1

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 DHPS 81/4885MAPK14 3209/4885DYRK1A 1128/4885

“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.