SCHEMBL6847772

SCHEMBL6847772

c1ccc(-c2cccc3c2ccn3-c2cccnc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.47
TNF P01375 1/20 0.46
DHPS P49366 1/20 0.45
HTR6 P50406 2/20 0.45
HTT P42858 2/20 0.43
MAPK14 Q16539 1/20 0.42
HSD11B1 P28845 1/20 0.42
CYP11B2 P19099 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2A6 P11509 2/20 0.40
CYP2E1 P05181 1/20 0.40
CYP17A1 P05093 1/20 0.39
CYP1A2 P05177 1/20 0.39
ALDH1A1 P00352 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PRKCB P05771 1/20 0.39
PRKCA P17252 1/20 0.39
GSK3B P49841 1/20 0.39
MAPT P10636 2/20 0.38
NPC1 O15118 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
SCHEMBL6846191 0.93 DHPS (0.50) DYRK1ATNFDHPSHTR6MAPK14
SCHEMBL6846105 0.93 MAPK14 (0.49) DYRK1ADHPSHTTMAPK14CYP11B2
SCHEMBL6657827 0.87 CYP17A1 (0.41) DYRK1AHTR6HTTMAPK14CYP11B2
SCHEMBL7962053 0.86 HTR6 (0.51) DYRK1ATNFHTR6MAPK14HSD11B1
SCHEMBL6844276 0.85 CDC7 (0.44) DHPSMAPK14CYP11B2CYP1A2ALDH1A1
SCHEMBL6846026 0.84 KIF11 (0.48) DYRK1AHTTMAPK14CYP3A4CYP2A6
SCHEMBL6844275 0.84 QPCT (0.46) HTTCYP11B2CYP3A4CYP17A1CYP1A2
SCHEMBL6846183 0.83 HSD11B1 (0.45) HTTMAPK14HSD11B1CYP3A4CYP2A6
SCHEMBL6846100 0.82 CDC7 (0.41) DYRK1ADHPSHTTMAPK14CYP3A4
SCHEMBL6846083 0.82 CHRNB2 (0.46) CYP11B2CYP3A4CYP17A1CYP1A2ALDH1A1

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 DYRK1A 1128/4885TNF 4642/4885DHPS 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.