SCHEMBL21396785

SCHEMBL21396785

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

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 6/20 0.36
CHUK O15111 1/20 0.34
CYP11B1 P15538 5/20 0.33
PTGER4 P35408 1/20 0.33
SLC22A12 Q96S37 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
ROCK2 O75116 1/20 0.32
FLT3 P36888 2/20 0.32
CYP19A1 P11511 2/20 0.32
PDE10A Q9Y233 1/20 0.32
CYP17A1 P05093 1/20 0.32
IKBKB O14920 1/20 0.31
TDP2 O95551 1/20 0.31
DUSP3 P51452 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
SCHEMBL21396773 0.93 CHUK (0.38) CYP11B2CHUKCYP11B1PTGER4SLC22A12
SCHEMBL21396904 0.92 CYP11B2 (0.36) CYP11B2CHUKCYP11B1PTGER4NCOA3
SCHEMBL21396786 0.92 CYP11B2 (0.36) CYP11B2CHUKCYP11B1PTGER4SLC22A12
SCHEMBL21396734 0.87 CYP11B2 (0.38) CYP11B2CHUKCYP11B1SLC22A12FLT3
SCHEMBL21397146 0.86 CDK4 (0.35) CYP11B2CHUKCYP11B1PTGER4SLC22A12
SCHEMBL19755262 0.85 CA1 (0.35) PTGER4TDP2
SCHEMBL21758324 0.85 NEK1 (0.40) CYP11B2CYP11B1PTGER4SLC22A12FLT3
SCHEMBL21396776 0.84 CHUK (0.37) CYP11B2CHUKCYP11B1PTGER4SLC22A12
SCHEMBL21396782 0.84 CYP11B2 (0.38) CYP11B2CHUKCYP11B1PTGER4SLC22A12
SCHEMBL21758316 0.84 CYP11B2 (0.39) CYP11B2CYP11B1PTGER4SLC22A12FLT3

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 3116/4885CYP11B1 1877/4885

“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.