SCHEMBL21758474

SCHEMBL21758474

N#Cc1ccc(-c2cnccc2-n2c3ccccc3c3cc(C#N)ccc32)c(-n2c3ccccc3c3cc(C#N)ccc32)c1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHUK O15111 1/20 0.38
PTGER4 P35408 2/20 0.37
SLC22A12 Q96S37 3/20 0.36
CYP11B2 P19099 6/20 0.36
CYP11B1 P15538 4/20 0.36
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35
NCOA3 Q9Y6Q9 1/20 0.34
FLT3 P36888 2/20 0.33
CYP19A1 P11511 1/20 0.33
CYP17A1 P05093 1/20 0.33
RORC P51449 2/20 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
SCHEMBL21396782 0.96 CYP11B2 (0.38) CHUKPTGER4SLC22A12CYP11B2CYP11B1
SCHEMBL21758484 0.94 CHUK (0.42) CHUKSLC22A12CYP11B2CYP11B1GSK3A
SCHEMBL21758709 0.93 CYP19A1 (0.34) CHUKPTGER4SLC22A12CYP11B2CYP11B1
SCHEMBL21758710 0.93 CYP19A1 (0.34) CHUKPTGER4SLC22A12CYP11B2CYP11B1
SCHEMBL21758496 0.93 CHUK (0.39) CHUKPTGER4SLC22A12CYP11B2CYP11B1
SCHEMBL21758159 0.92 CYP11B2 (0.37) CHUKPTGER4SLC22A12CYP11B2CYP11B1
SCHEMBL21758488 0.92 CYP11B2 (0.39) PTGER4SLC22A12CYP11B2CYP11B1FLT3
SCHEMBL21758708 0.91 CYP11B2 (0.39) PTGER4SLC22A12CYP11B2CYP11B1FLT3
SCHEMBL21758164 0.90 CYP11B2 (0.36) CHUKPTGER4SLC22A12CYP11B2CYP11B1
SCHEMBL21396781 0.90 CYP11B2 (0.39) CHUKPTGER4SLC22A12CYP11B2CYP11B1

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-20200062734-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2020-02-27 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-20200062734-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OXER1, OR10J3, OXGR1 CHUK 1699/4885PTGER4 1728/4885SLC22A12 2205/4885

“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.