SCHEMBL21396904

SCHEMBL21396904

N#Cc1ccc(-n2c3ccccc3c3ccccc32)c(-c2cccc(-c3ccncc3-n3c4ccccc4c4ccccc43)c2C#N)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 4/20 0.36
CHUK O15111 1/20 0.33
PTGER4 P35408 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.32
ROCK2 O75116 1/20 0.32
CYP11B1 P15538 3/20 0.32
PDE10A Q9Y233 1/20 0.31
FNTA P49354 1/20 0.31
FNTB P49356 1/20 0.31
EGFR P00533 3/20 0.31
CYP17A1 P05093 1/20 0.31
CCNE2 O96020 1/20 0.31
CDK1 P06493 1/20 0.31
CDK4 P11802 1/20 0.31
SRC P12931 1/20 0.31
CCND1 P24385 1/20 0.31
CCNE1 P24864 1/20 0.31
CDK2 P24941 1/20 0.31
KDR P35968 1/20 0.31
CCNA1 P78396 1/20 0.31

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
SCHEMBL21396776 0.93 CHUK (0.37) CYP11B2CHUKPTGER4NCOA3CYP11B1
SCHEMBL21396785 0.92 CYP11B2 (0.36) CYP11B2CHUKPTGER4NCOA3ROCK2
SCHEMBL21396906 0.92 CYP11B2 (0.36) CYP11B2CHUKPTGER4NCOA3ROCK2
SCHEMBL21758574 0.91 CHUK (0.39) CYP11B2CHUKPTGER4NCOA3CYP11B1
SCHEMBL21396786 0.87 CYP11B2 (0.36) CYP11B2CHUKPTGER4NCOA3ROCK2
SCHEMBL21758338 0.87 CYP19A1 (0.35) CYP11B2CHUKPTGER4NCOA3CYP11B1
SCHEMBL21758337 0.87 CYP19A1 (0.35) CYP11B2CHUKPTGER4NCOA3CYP11B1
SCHEMBL21758577 0.86 CYP11B2 (0.39) CYP11B2PTGER4CYP11B1CYP17A1
SCHEMBL21396781 0.85 CYP11B2 (0.39) CYP11B2CHUKPTGER4NCOA3CYP11B1
SCHEMBL21396773 0.85 CHUK (0.38) CYP11B2CHUKPTGER4NCOA3CYP11B1

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-20190296247-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 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-20190296247-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SLC25A21, SLCO4C1, SLC18A1 CYP11B2 1859/4885CHUK 3116/4885PTGER4 2404/4885

“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.