SCHEMBL21396962

SCHEMBL21396962

N#Cc1ccc(-n2c3ccccc3c3ccccc32)c(-c2cccc(-c3ccncc3-n3c4ccccc4c4ccccc43)n2)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 2/20 0.35
CDK2 P24941 2/20 0.35
GSK3B P49841 2/20 0.35
DYRK1A Q13627 2/20 0.35
EGFR P00533 2/20 0.35
NCOA3 Q9Y6Q9 1/20 0.34
CYP11B1 P15538 3/20 0.34
CYP11B2 P19099 3/20 0.34
ROCK2 O75116 2/20 0.34
CYP17A1 P05093 1/20 0.33
CHUK O15111 1/20 0.33
PTGER4 P35408 1/20 0.33
CYP19A1 P11511 1/20 0.33
SCN9A Q15858 1/20 0.32
TDP2 O95551 1/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 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
SCHEMBL21396963 0.92 CYP11B1 (0.37) CDK4CDK2GSK3BDYRK1AEGFR
SCHEMBL21397146 0.92 CDK4 (0.35) CDK4CDK2GSK3BDYRK1AEGFR
SCHEMBL21396776 0.88 CHUK (0.37) EGFRNCOA3CYP11B1CYP11B2CYP17A1
SCHEMBL21397147 0.87 CYP11B1 (0.36) CDK4CDK2GSK3BDYRK1AEGFR
SCHEMBL21758574 0.86 CHUK (0.39) GSK3BEGFRNCOA3CYP11B1CYP11B2
SCHEMBL21396735 0.85 CYP11B2 (0.37) CYP11B1CYP11B2CYP17A1CHUKCYP19A1
SCHEMBL21396904 0.84 CYP11B2 (0.36) CDK4CDK2EGFRNCOA3CYP11B1
SCHEMBL21758338 0.82 CYP19A1 (0.35) EGFRNCOA3CYP11B1CYP11B2CYP17A1
SCHEMBL21396773 0.82 CHUK (0.38) NCOA3CYP11B1CYP11B2CYP17A1CHUK
SCHEMBL21396781 0.82 CYP11B2 (0.39) GSK3BEGFRNCOA3CYP11B1CYP11B2

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 CDK4 1413/4885CDK2 2258/4885GSK3B 4325/4885

“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.