SCHEMBL21396773

SCHEMBL21396773

N#Cc1ccc(-c2ccncc2-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)c1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHUK O15111 1/20 0.38
PTGER4 P35408 1/20 0.37
CYP11B2 P19099 7/20 0.37
CYP11B1 P15538 5/20 0.37
NCOA3 Q9Y6Q9 1/20 0.37
SLC22A12 Q96S37 1/20 0.36
CYP17A1 P05093 1/20 0.35
CYP19A1 P11511 3/20 0.35
FLT3 P36888 2/20 0.35
MAOA P21397 3/20 0.34
MAOB P27338 3/20 0.34
SLC6A2 P23975 1/20 0.34

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
SCHEMBL21396785 0.93 CYP11B2 (0.36) CHUKPTGER4CYP11B2CYP11B1NCOA3
SCHEMBL21396734 0.92 CYP11B2 (0.38) CHUKCYP11B2CYP11B1SLC22A12CYP17A1
SCHEMBL21396782 0.91 CYP11B2 (0.38) CHUKPTGER4CYP11B2CYP11B1NCOA3
SCHEMBL21396776 0.91 CHUK (0.37) CHUKPTGER4CYP11B2CYP11B1NCOA3
SCHEMBL21758316 0.91 CYP11B2 (0.39) PTGER4CYP11B2CYP11B1SLC22A12CYP17A1
SCHEMBL21397146 0.91 CDK4 (0.35) CHUKPTGER4CYP11B2CYP11B1NCOA3
SCHEMBL21758152 0.90 CYP11B2 (0.39) PTGER4CYP11B2CYP11B1SLC22A12CYP17A1
SCHEMBL21758161 0.90 KDM4E (0.38) CHUKPTGER4CYP11B2CYP11B1NCOA3
SCHEMBL21758324 0.89 NEK1 (0.40) PTGER4CYP11B2CYP11B1SLC22A12CYP17A1
SCHEMBL21758574 0.89 CHUK (0.39) CHUKPTGER4CYP11B2CYP11B1NCOA3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3638749-B1 ORGANIC MOLECULE, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2021-05-19 EP disclosed
EP-3543230-B1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO LTD (KR) 2021-05-05 EP disclosed
US-20200062734-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2020-02-27 US disclosed
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 (2 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 1728/4885CYP11B2 1243/4885
US-20190296247-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SLC25A21, SLCO4C1, SLC18A1 CHUK 3116/4885PTGER4 2404/4885CYP11B2 1859/4885

“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.