SCHEMBL21396875

SCHEMBL21396875

N#Cc1c(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)cc(-c2ccc(-n3c4cnccc4c4ccncc43)cc2)cc1-n1c2ccc(-c3ccccc3)cc2c2cc(-c3ccccc3)ccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 4/20 0.36
CDK4 P11802 1/20 0.35
CDK6 Q00534 1/20 0.35
CYP11B1 P15538 2/20 0.33
KDM4E B2RXH2 2/20 0.33
MAOA P21397 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
DYRK1A Q13627 1/20 0.33
PIP4K2A P48426 1/20 0.33
CYP19A1 P11511 1/20 0.32
KCNH2 Q12809 2/20 0.32
DHODH Q02127 2/20 0.32
PDE10A Q9Y233 1/20 0.32
AOC3 Q16853 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL21396874 0.98 CYP11B2 (0.39) CYP11B2CDK4CDK6CYP11B1KDM4E
SCHEMBL21396832 0.94 CYP11B2 (0.34) CYP11B2CDK4CDK6CYP11B1KDM4E
SCHEMBL21396880 0.92 CYP11B2 (0.38) CYP11B2CDK4CDK6CYP11B1KDM4E
SCHEMBL21397076 0.92 CYP11B2 (0.38) CYP11B2CDK4CDK6CYP11B1KDM4E
SCHEMBL21397099 0.91 CYP11B2 (0.39) CYP11B2KDM4EMAOADHODHPDE10A
SCHEMBL19909016 0.87 ADORA1 (0.42) CYP11B2DYRK1AADORA2AADORA1SMN1; SMN2
SCHEMBL15945736 0.87 CDK4 (0.42) CDK4CDK6KDM4EDYRK1AKCNH2
SCHEMBL11965527 0.87 CDK4 (0.42) CDK4CDK6KDM4EDYRK1AKCNH2
SCHEMBL19909124 0.86 KDM4E (0.42) CYP11B2KDM4EDYRK1APDE10AADORA2A
SCHEMBL19908876 0.86 SQOR (0.40) CYP11B2KDM4EDYRK1APDE10AADORA2A

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-20190292181-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES Kyulux North America, Inc. 2019-09-26 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-20190292181-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES CRY2, SLCO1B3, NDUFV3 CYP11B2 1221/4885CDK4 714/4885CDK6 814/4885

“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.