SCHEMBL6845658

SCHEMBL6845658

c1ccc(-n2ccc3c(-c4cccnc4)cccc32)nc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
VHL P40337 1/20 0.47
CYP17A1 P05093 2/20 0.45
CYP1A2 P05177 2/20 0.45
DHPS P49366 1/20 0.44
MAPK14 Q16539 1/20 0.44
MAPT P10636 2/20 0.43
CYP2A6 P11509 2/20 0.42
CDC7 O00311 1/20 0.41
CDK2 P24941 1/20 0.41
CYP11B2 P19099 3/20 0.40
POLB P06746 1/20 0.39
RPS6KA5 O75582 1/20 0.39
NUDT1 P36639 1/20 0.39
CYP11B1 P15538 2/20 0.38
PDE10A Q9Y233 1/20 0.38
P4HTM Q9NXG6 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
SCHEMBL6846191 0.82 DHPS (0.50) CYP1A2DHPSMAPK14MAPTCYP2A6
SCHEMBL6846105 0.82 MAPK14 (0.49) CYP17A1CYP1A2DHPSMAPK14MAPT
SCHEMBL6846190 0.78 DHPS (0.44) CYP17A1CYP1A2DHPSMAPK14MAPT
SCHEMBL6847772 0.78 DYRK1A (0.47) CYP17A1CYP1A2DHPSMAPK14MAPT
SCHEMBL7021321 0.77 MAPT (0.44) CYP17A1CYP1A2DHPSMAPK14MAPT
SCHEMBL6661647 0.75 MAPK14 (0.44) CYP17A1CYP1A2DHPSMAPK14MAPT
SCHEMBL6658639 0.75 MAPK14 (0.43) CYP17A1CYP1A2MAPK14MAPTCYP2A6
SCHEMBL6663847 0.74 MAPK14 (0.43) CYP1A2DHPSMAPK14MAPTCDC7
SCHEMBL6659220 0.74 CYP11B1 (0.53) VHLCYP17A1MAPTCYP2A6CYP11B2
SCHEMBL31213232 0.73 CD274 (0.42) MAPTCYP11B2CYP11B1

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 VHL 1892/4885CYP17A1 1/4885CYP1A2 32/4885

“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.