SCHEMBL6846183

SCHEMBL6846183

Clc1ccccc1-c1cccc2c1ccn2-c1cccnc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.45
MAPK14 Q16539 2/20 0.43
CDC7 O00311 1/20 0.41
CDK2 P24941 1/20 0.41
HTT P42858 2/20 0.41
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
DPP4 P27487 1/20 0.38
DPP8 Q6V1X1 1/20 0.38
CNR1 P21554 1/20 0.38
PTGER2 P43116 1/20 0.38
CYP3A4 P08684 3/20 0.38
CYP2A6 P11509 2/20 0.38
CYP2E1 P05181 1/20 0.38
CYP1A2 P05177 2/20 0.38
CYP17A1 P05093 1/20 0.38
PRKCB P05771 1/20 0.38
PRKCA P17252 1/20 0.38
GSK3B P49841 1/20 0.38
TP53 P04637 1/20 0.37

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
SCHEMBL6847772 0.83 DYRK1A (0.47) HSD11B1MAPK14HTTNPC1RAB9A
SCHEMBL6846105 0.81 MAPK14 (0.49) MAPK14CDC7CDK2HTTCYP3A4
SCHEMBL6655720 0.80 HSD11B1 (0.48) HSD11B1HTTCYP3A4CYP1A2CYP17A1
SCHEMBL6844276 0.80 CDC7 (0.44) MAPK14CDC7NPC1RAB9ACYP1A2
SCHEMBL6658639 0.80 MAPK14 (0.43) MAPK14HTTCYP3A4CYP2A6CYP2E1
SCHEMBL6846191 0.79 DHPS (0.50) HSD11B1MAPK14NPC1RAB9ACYP3A4
SCHEMBL6845619 0.78 HTT (0.41) HTTCYP3A4CYP2A6CYP2E1CYP1A2
SCHEMBL8608345 0.78 BAZ2B (0.41) HSD11B1HTTCYP3A4CYP2A6CYP2E1
SCHEMBL6657827 0.77 CYP17A1 (0.41) MAPK14HTTNPC1RAB9ACYP3A4
SCHEMBL6846100 0.75 CDC7 (0.41) MAPK14CDC7CDK2HTTCYP3A4

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 HSD11B1 28/4885MAPK14 3209/4885CDC7 1627/4885

“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.