SCHEMBL21364577

SCHEMBL21364577

Cc1cccc(-c2ccc3c(c2)c2cc(-c4cccc(C)c4)ccc2n3-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c(-c3cc(-c4ccc(C#N)cc4)ccc3-n3c4ccc(-c5cccc(C)c5)cc4c4cc(-c5cccc(C)c5)ccc43)c2)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
ABCG2 Q9UNQ0 7/20 0.35
MAPK14 Q16539 1/20 0.34
ABCB1 P08183 3/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
PTGER4 P35408 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
MAPK1 P28482 1/20 0.33
LMNA P02545 2/20 0.32
PGR P06401 1/20 0.32
NR3C1 P04150 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 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
SCHEMBL21364569 0.97 PTGER4 (0.37) PIK3CDPIK3CAABCG2MAPK14ABCB1
SCHEMBL23965881 0.97 PTGER4 (0.37) PIK3CDPIK3CAABCG2MAPK14ABCB1
SCHEMBL21364850 0.95 ABCG2 (0.36) PIK3CDPIK3CAABCG2ABCB1LMNA
SCHEMBL21364360 0.94 ABCG2 (0.37) PIK3CDPIK3CAABCG2ABCB1PGR
SCHEMBL22243103 0.93 PTGER4 (0.38) PIK3CDPIK3CAABCG2PTGER4ADORA2A
SCHEMBL21364576 0.92 PTGER4 (0.36) PIK3CDPIK3CAABCG2ABCB1PTGER4
SCHEMBL21364859 0.92 PTGER4 (0.35) PIK3CDPIK3CAABCG2ABCB1PTGER4
SCHEMBL21365096 0.91 PIK3CD (0.35) PIK3CDPIK3CAABCG2ABCB1PTGER4
SCHEMBL21364371 0.91 ABCG2 (0.35) PIK3CDPIK3CAABCG2ABCB1PTGER4
SCHEMBL22243126 0.91 ABCG2 (0.37) PIK3CDPIK3CAABCG2ABCB1PTGER4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11161836-B2 Organic molecules for optoelectronic devices CYNORA GMBH (DE) 2021-11-02 US disclosed
US-20190284174-A1 ORGANIC MOLECULES FOR OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2019-09-19 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-20190284174-A1 ORGANIC MOLECULES FOR OPTOELECTRONIC DEVICES OR10J3, OR51E2, OCIAD2 PIK3CD 3930/4885PIK3CA 3458/4885ABCG2 3275/4885
US-11161836-B2 Organic molecules for optoelectronic devices OR10J3, OR51E2, OCIAD2 PIK3CD 3930/4885PIK3CA 3458/4885ABCG2 3275/4885

“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.