SCHEMBL30709295

SCHEMBL30709295

N#Cc1ccc2c(c1)c1ccccc1n2-c1nc(-n2c3ccccc3c3cc(C#N)ccc32)c(-n2c3ccccc3c3cc(C#N)ccc32)c(-c2ccccc2-c2cccnc2)c1-n1c2ccccc2c2cc(C#N)ccc21

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 9/20 0.42
CYP11B1 P15538 7/20 0.42
CYP17A1 P05093 1/20 0.42
CYP19A1 P11511 2/20 0.39
FLT3 P36888 2/20 0.39
IKBKB O14920 1/20 0.39
ABCG2 Q9UNQ0 2/20 0.37
NEK1 Q96PY6 1/20 0.37
KDM4E B2RXH2 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
MAPK14 Q16539 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNA5 P30532 1/20 0.36
CHRNA4 P43681 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
SCHEMBL30709266 0.87 CYP11B1 (0.44) CYP11B2CYP11B1KDM4EMAPK14
SCHEMBL30709426 0.85 CYP11B1 (0.40) CYP11B2CYP11B1CYP17A1CYP19A1MAPK14
SCHEMBL30709400 0.85 CYP11B2 (0.38) CYP11B2CYP11B1CYP17A1CYP19A1FLT3
SCHEMBL30709345 0.85 ABCG2 (0.36) FLT3ABCG2KDM4E
SCHEMBL30709191 0.85 CYP11B1 (0.40) CYP11B2CYP11B1CYP17A1KDM4EMAPK14
SCHEMBL30709336 0.84 CYP11B1 (0.44) CYP11B2CYP11B1CYP17A1CYP19A1KDM4E
SCHEMBL30709418 0.84 PTGER4 (0.37) ABCG2KDM4EGLAGAA
SCHEMBL22148523 0.84 CYP1A2 (0.36) ABCG2KDM4E
SCHEMBL22148761 0.83 MAPK14 (0.41) CYP11B2CYP11B1KDM4EMAPK14
SCHEMBL22148892 0.83 MAPK14 (0.41) CYP11B2CYP11B1KDM4EMAPK14

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-11849634-B2 Composition of matter for use in organic light- emitting diodes KYULUX, INC. (JP) 2023-12-19 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-11849634-B2 Composition of matter for use in organic light- emitting diodes NDUFV3, NDUFV2, CRY2 CYP11B2 244/4885CYP11B1 467/4885CYP17A1 1658/4885

“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.