SCHEMBL21396871

SCHEMBL21396871

N#Cc1c(-n2c3ccccc3c3cc(-c4ccccc4)ccc32)c(-n2c3ccccc3c3cc(-c4ccccc4)ccc32)c(-c2ccc(-n3c4ccccc4c4ccncc43)cc2)c(-n2c3ccccc3c3cc(-c4ccccc4)ccc32)c1-n1c2ccccc2c2cc(-c3ccccc3)ccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.37
NPY5R Q15761 1/20 0.34
KDM4E B2RXH2 3/20 0.33
RXFP1 Q9HBX9 3/20 0.33
ALDH1A1 P00352 2/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CDK4 P11802 1/20 0.33
CDK6 Q00534 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
DHODH Q02127 1/20 0.32
PDE10A Q9Y233 1/20 0.32
RAC2 P15153 1/20 0.32
RAC3 P60763 1/20 0.32
CDC42 P60953 1/20 0.32
RAC1 P63000 1/20 0.32
PDE9A O76083 1/20 0.32
PDE1C Q14123 1/20 0.32
LMNA P02545 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
SCHEMBL21396865 1.00 CYP11B2 (0.37) CYP11B2NPY5RKDM4ERXFP1ALDH1A1
SCHEMBL21378011 0.92 CYP11B2 (0.40) CYP11B2KDM4ERXFP1ALDH1A1ATM
SCHEMBL21377954 0.91 RXFP1 (0.35) CYP11B2KDM4ERXFP1ALDH1A1MEN1
SCHEMBL21377936 0.91 KDM4E (0.41) KDM4ERXFP1ALDH1A1ATML3MBTL1
SCHEMBL21840854 0.90 CYP11B2 (0.41) CYP11B2KDM4ERXFP1ALDH1A1DHODH
SCHEMBL21396606 0.89 PDE9A (0.37) CYP11B2NPY5RKDM4ERXFP1ALDH1A1
SCHEMBL21396902 0.89 PDE9A (0.37) CYP11B2NPY5RKDM4ERXFP1ALDH1A1
SCHEMBL23344000 0.88 MAPK14 (0.39) CYP11B2KDM4ERXFP1ALDH1A1MEN1
SCHEMBL21377920 0.87 KDM4E (0.45) KDM4ERXFP1ALDH1A1ATML3MBTL1
SCHEMBL23343977 0.86 CYP11B2 (0.48) CYP11B2KDM4ERXFP1KMT2ADHODH

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 1221/4885NPY5R 3165/4885KDM4E 4364/4885

“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.