SCHEMBL21364583

SCHEMBL21364583

Cc1nc(C)nc(-c2ccc3c(c2)c2cc(-c4nc(C)nc(C)n4)ccc2n3-c2ccc(-c3ccc(C#N)cc3)cc2-c2cccc(-n3c4ccc(-c5nc(C)nc(C)n5)cc4c4cc(-c5nc(C)nc(C)n5)ccc43)c2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 12/20 0.36
CYP1A2 P05177 3/20 0.35
CYP3A4 P08684 3/20 0.35
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP2C19 P33261 2/20 0.35
KMT2A Q03164 2/20 0.35
CLK4 Q9HAZ1 2/20 0.35
CYP2D6 P10635 2/20 0.35
TSHR P16473 2/20 0.35
LMNA P02545 1/20 0.35
CYP2C9 P11712 1/20 0.35
HSD17B10 Q99714 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ABCB1 P08183 7/20 0.34
PTGER4 P35408 1/20 0.34
ABCC1 P33527 4/20 0.34
MAPK1 P28482 1/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33

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
SCHEMBL21364582 0.97 PTGER4 (0.38) ABCG2CYP1A2CYP3A4MEN1ALDH1A1
SCHEMBL21364471 0.95 CYP1A2 (0.41) ABCG2CYP1A2CYP3A4MEN1ALDH1A1
SCHEMBL23965894 0.93 L3MBTL1 (0.40) ABCG2CYP1A2CYP3A4MEN1ALDH1A1
SCHEMBL21364584 0.93 ABCG2 (0.39) ABCG2CYP1A2CYP3A4MEN1ALDH1A1
SCHEMBL21364476 0.93 CYP1A2 (0.41) ABCG2CYP1A2CYP3A4MEN1ALDH1A1
SCHEMBL21364864 0.93 ABCG2 (0.37) ABCG2CYP1A2CYP3A4MEN1ALDH1A1
SCHEMBL21364867 0.92 ABCG2 (0.36) ABCG2CYP1A2CYP3A4MEN1ALDH1A1
SCHEMBL21364590 0.92 CYP1A2 (0.37) ABCG2CYP1A2CYP3A4MEN1ALDH1A1
SCHEMBL21365091 0.91 ABCG2 (0.36) ABCG2CYP1A2CYP3A4MEN1ALDH1A1
SCHEMBL21364587 0.91 ABCG2 (0.37) ABCG2CYP1A2CYP3A4MEN1ALDH1A1

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 ABCG2 3275/4885CYP1A2 540/4885CYP3A4 1274/4885
US-11161836-B2 Organic molecules for optoelectronic devices OR10J3, OR51E2, OCIAD2 ABCG2 3275/4885CYP1A2 540/4885CYP3A4 1274/4885

“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.