SCHEMBL19909084

SCHEMBL19909084

N#Cc1ccc2c(c1)c1ccccc1n2-c1cc(-c2ccncc2)c(-n2c3ccccc3c3cc(C#N)ccc32)cc1C#N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.36
SQOR Q9Y6N5 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
PTGER4 P35408 2/20 0.36
PKN1 Q16512 1/20 0.36
PKN2 Q16513 1/20 0.36
FLT3 P36888 2/20 0.34
HPGD P15428 2/20 0.34
USP2 O75604 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CASP1 P29466 1/20 0.34
HRH1 P35367 1/20 0.34
HTR6 P50406 1/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 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
SCHEMBL19909087 0.95 PKN1 (0.39) CYP19A1CYP11B1CYP11B2ABCG2SQOR
SCHEMBL19913203 0.93 CYP19A1 (0.38) CYP19A1CYP11B1CYP11B2ABCG2SQOR
SCHEMBL19909469 0.93 CYP19A1 (0.38) CYP19A1CYP11B1CYP11B2ABCG2SQOR
SCHEMBL20923543 0.92 CYP19A1 (0.39) CYP19A1CYP11B1CYP11B2ABCG2SQOR
SCHEMBL19919784 0.92 PTGER4 (0.38) CYP19A1CYP11B1CYP11B2SQORNCOA3
SCHEMBL20923185 0.92 SQOR (0.39) CYP19A1CYP11B1CYP11B2ABCG2SQOR
SCHEMBL21757799 0.92 NCOA3 (0.41) CYP11B1CYP11B2SQORNCOA3HPGD
SCHEMBL19919765 0.92 STS (0.38) CYP19A1CYP11B1CYP11B2ABCG2PTGER4
SCHEMBL19919464 0.90 USP2 (0.40) ABCG2SQORPTGER4HPGDUSP2
SCHEMBL19909157 0.89 SQOR (0.34) CYP19A1CYP11B1CYP11B2ABCG2SQOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11588114-B2 Organic molecules for use in optoelectronic devices SAMSUNG DISPLAY CO., LTD. (KR) 2023-02-21 US disclosed
US-20200212316-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2020-07-02 US disclosed
US-10665792-B2 Organic molecules for use in optoelectronic devices CYNORA GMBH (DE) 2020-05-26 US disclosed
US-20180062085-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2018-03-01 US disclosed
EP-3287451-A1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2018-02-28 EP 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 (3 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-20200212316-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, OPRM1, OR51E2 CYP19A1 2142/4885CYP11B1 610/4885CYP11B2 402/4885
US-10665792-B2 Organic molecules for use in optoelectronic devices OR10J3, CFD, AOX1 CYP19A1 3879/4885CYP11B1 1400/4885CYP11B2 965/4885
US-11588114-B2 Organic molecules for use in optoelectronic devices OR10J3, OPRM1, OR51E2 CYP19A1 2142/4885CYP11B1 610/4885CYP11B2 402/4885

“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.