SCHEMBL6840644

SCHEMBL6840644

CC(C)(C)c1ccc(-c2ccc3c(ccn3-c3cccnc3)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.52
KCNH2 Q12809 1/20 0.48
CYP11B1 P15538 3/20 0.46
CYP11B2 P19099 3/20 0.46
HRH3 Q9Y5N1 2/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP2E1 P05181 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2A6 P11509 1/20 0.38
FAAH O00519 1/20 0.38
LCK P06239 1/20 0.38
KIT P10721 1/20 0.38
SRC P12931 1/20 0.38
KDR P35968 1/20 0.38
GRM1 Q13255 1/20 0.37
NTSR1 P30989 1/20 0.36

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
SCHEMBL6847487 0.87 CYP11B2 (0.43) KIF11KCNH2CYP11B1CYP11B2CYP3A4
SCHEMBL6663687 0.85 CYP11B2 (0.49) CYP11B1CYP11B2ALDH1A1SMN1; SMN2CYP2E1
SCHEMBL6846113 0.85 CYP11B2 (0.48) CYP11B1CYP11B2MAPTCYP2E1CYP3A4
SCHEMBL6655119 0.85 CYP11B2 (0.51) CYP11B1CYP11B2CYP2E1CYP3A4CYP2A6
SCHEMBL6846125 0.84 CYP11B2 (0.59) CYP11B1CYP11B2ALDH1A1MAPTCYP3A4
SCHEMBL6656090 0.83 CYP11B2 (0.50) KCNH2CYP11B1CYP11B2MAPTCYP3A4
SCHEMBL16538914 0.83 CYP11B2 (0.49) CYP11B1CYP11B2MAPTCYP2E1CYP3A4
SCHEMBL6662535 0.83 CYP19A1 (0.51) KCNH2CYP11B1CYP11B2MAPTCYP3A4
SCHEMBL22515748 0.83 CYP11B2 (0.49) CYP11B1CYP11B2CYP2E1CYP3A4CYP2A6
SCHEMBL6656508 0.82 CYP11B2 (0.53) CYP11B1CYP11B2ALDH1A1MAPTSMN1; SMN2

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 KIF11 2601/4885KCNH2 3381/4885CYP11B1 30/4885

“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.