SCHEMBL21108317

SCHEMBL21108317

Cc1nc(C)nc(-c2c(-n3c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc4c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc43)cc(C#N)cc2-n2c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc3c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc32)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.42
ABCG2 Q9UNQ0 12/20 0.39
CYP1A2 P05177 5/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
CYP3A4 P08684 4/20 0.38
ALDH1A1 P00352 3/20 0.38
CYP2D6 P10635 3/20 0.38
TSHR P16473 3/20 0.38
LMNA P02545 3/20 0.38
CYP2C19 P33261 2/20 0.38
CLK4 Q9HAZ1 2/20 0.38
HSD17B10 Q99714 2/20 0.38
CYP2C9 P11712 1/20 0.38
ABCB1 P08183 6/20 0.38
MAPK1 P28482 1/20 0.36
ATM Q13315 1/20 0.35
ABCC1 P33527 3/20 0.35
TP53 P04637 2/20 0.33
KDM4E B2RXH2 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
SCHEMBL21108320 0.97 L3MBTL1 (0.40) L3MBTL1ABCG2CYP1A2MEN1KMT2A
SCHEMBL21108010 0.93 CHEK1 (0.37) L3MBTL1ABCG2MEN1KMT2ACLK4
SCHEMBL19942583 0.93 CHEK1 (0.35) ABCG2CYP1A2MEN1KMT2ACYP3A4
SCHEMBL19942584 0.92 PTGER4 (0.37) L3MBTL1ABCG2CYP1A2MEN1KMT2A
SCHEMBL23487263 0.91 ABCG2 (0.46) ABCG2CYP1A2MEN1KMT2ACYP3A4
SCHEMBL21108319 0.91 L3MBTL1 (0.42) L3MBTL1ABCG2CYP1A2MEN1KMT2A
SCHEMBL19942582 0.90 PTGER4 (0.41) L3MBTL1ABCG2CYP1A2MEN1KMT2A
SCHEMBL21108005 0.90 MEN1 (0.37) L3MBTL1ABCG2CYP1A2MEN1KMT2A
SCHEMBL22563567 0.89 ABCG2 (0.36) ABCG2KMT2A
SCHEMBL21414152 0.89 CYP1A2 (0.32) L3MBTL1CYP1A2MEN1KMT2ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190194171-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2019-06-27 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 (1 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-20190194171-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, OCIAD2, OR51E2 L3MBTL1 3569/4885ABCG2 2582/4885CYP1A2 351/4885

“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.