SCHEMBL21718124

SCHEMBL21718124

N#Cc1ccc(-c2ccc3cc4c5cc(C#N)cc6c7cc8ccc(-c9ccc(C#N)cc9)cc8cc7n(c4cc3c2)c56)cc1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 14/20 0.41
PGR P06401 2/20 0.40
CHEK1 O14757 1/20 0.40
RIPK1 Q13546 1/20 0.40
CYP17A1 P05093 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
SCN7A Q01118 1/20 0.37

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
SCHEMBL21717476 0.94 HRH3 (0.41) HRH3PGRCHEK1RIPK1CYP17A1
SCHEMBL19564917 0.92 CYP17A1 (0.39) HRH3PGRCYP17A1CYP11B1CYP11B2
SCHEMBL19564916 0.92 CYP17A1 (0.39) HRH3PGRCYP17A1CYP11B1CYP11B2
SCHEMBL21718126 0.89 CYP17A1 (0.40) HRH3PGRCHEK1CYP17A1CYP11B1
SCHEMBL19564966 0.89 CYP17A1 (0.40) HRH3PGRCHEK1CYP17A1CYP11B1
SCHEMBL19564965 0.89 CYP17A1 (0.40) HRH3PGRCHEK1CYP17A1CYP11B1
SCHEMBL21718123 0.89 CYP17A1 (0.40) HRH3PGRCHEK1CYP17A1CYP11B1
SCHEMBL21717867 0.88 KIF11 (0.48) HRH3PGRCHEK1
SCHEMBL19564915 0.88 KIF11 (0.48) HRH3PGRCHEK1
SCHEMBL25005683 0.87 CYP17A1 (0.39) HRH3PGRCHEK1CYP17A1CYP11B1

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-20200052225-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2020-02-13 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-20200052225-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT AND ELECTRONIC DEVICE LEF1, L1CAM, ESR2 HRH3 4371/4885PGR 448/4885CHEK1 3217/4885

“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.