SCHEMBL19909357

SCHEMBL19909357

CC(C)(C)c1ccc2c3ccccc3n(-c3cc(-c4ccncc4)cc(-n4c5ccccc5c5ccc(C(C)(C)C)cc54)c3C#N)c2c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 5/20 0.40
CYP11B2 P19099 2/20 0.36
SQOR Q9Y6N5 1/20 0.35
MAPK14 Q16539 3/20 0.34
ADORA1 P30542 2/20 0.32
ADORA2A P29274 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CYP11B1 P15538 1/20 0.31
MAOA P21397 1/20 0.31
EGFR P00533 1/20 0.30
SRC P12931 1/20 0.30
SLC6A2 P23975 1/20 0.30
PDE10A Q9Y233 1/20 0.30

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
SCHEMBL19909002 0.94 KIF11 (0.41) KIF11CYP11B2SQORMAPK14ADORA1
SCHEMBL19913172 0.94 KIF11 (0.43) KIF11CYP11B2SQORMAPK14ADORA1
SCHEMBL19909345 0.89 KIF11 (0.43) KIF11CYP11B2SQORADORA1ALDH1A1
SCHEMBL19909304 0.88 KIF11 (0.44) KIF11SQORMAPK14ADORA1KDM4E
SCHEMBL23912075 0.88 CYP11B2 (0.48) KIF11CYP11B2SQORMAPK14ADORA1
SCHEMBL31273507 0.87 CYP11B2 (0.41) CYP11B2SQORMAPK14ADORA1ADORA2A
SCHEMBL19908983 0.87 CYP11B2 (0.41) CYP11B2SQORMAPK14ADORA1ADORA2A
SCHEMBL19909192 0.87 ALDH1A1 (0.35) KIF11CYP11B2KDM4EALDH1A1NPSR1
SCHEMBL21414111 0.86 KIF11 (0.35) KIF11CYP11B2KDM4EEGFRSRC
SCHEMBL23348409 0.86 KIF11 (0.34) KIF11KDM4EALDH1A1NPSR1

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 6 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
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 KIF11 3067/4885CYP11B2 402/4885SQOR 1580/4885
US-10665792-B2 Organic molecules for use in optoelectronic devices OR10J3, CFD, AOX1 KIF11 3082/4885CYP11B2 965/4885SQOR 225/4885
US-11588114-B2 Organic molecules for use in optoelectronic devices OR10J3, OPRM1, OR51E2 KIF11 3067/4885CYP11B2 402/4885SQOR 1580/4885

“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.