SCHEMBL21546573

SCHEMBL21546573

N#Cc1cccc(-c2cc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)c(C#N)cc2-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4ccccc4)c32)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.36
▸ ATM Q13315 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ ADORA2A P29274 2/20 0.35
▸ CYP1A2 P05177 6/20 0.33
▸ CYP3A4 P08684 5/20 0.33
▸ ALDH1A1 P00352 5/20 0.33
▸ MEN1 O00255 4/20 0.33
▸ KMT2A Q03164 4/20 0.33
▸ LMNA P02545 4/20 0.33
▸ CYP2D6 P10635 4/20 0.33
▸ TSHR P16473 4/20 0.33
▸ HSD17B10 Q99714 4/20 0.33
▸ CYP2C19 P33261 3/20 0.33
▸ CLK4 Q9HAZ1 3/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ TP53 P04637 3/20 0.33
▸ MAPT P10636 1/20 0.33
▸ CFTR P13569 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
SCHEMBL22761258 0.94 KDM4E (0.36) KDM4EATML3MBTL1ADORA2ACYP1A2
SCHEMBL21414205 0.92 KDM4E (0.38) KDM4EATML3MBTL1
SCHEMBL21546575 0.91 ADORA2A (0.38) KDM4EATML3MBTL1ADORA2ACYP1A2
SCHEMBL21546701 0.88 ENPP1 (0.34) KDM4EATML3MBTL1ADORA2A
SCHEMBL27016211 0.88 CYP1A2 (0.38) KDM4EADORA2ACYP1A2CYP3A4ALDH1A1
SCHEMBL17741750 0.86 KDM4E (0.49) KDM4EATML3MBTL1ALDH1A1MEN1
SCHEMBL20617402 0.86 RXRA (0.33) KDM4EATML3MBTL1
SCHEMBL26473296 0.86 CYP1A2 (0.41) KDM4EADORA2ACYP1A2CYP3A4ALDH1A1
SCHEMBL23127678 0.86 KDM4E (0.38) KDM4EATML3MBTL1
SCHEMBL21546635 0.85 KDM4E (0.39) KDM4EATML3MBTL1ADORA2ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10981930-B2 Organic molecules for use in optoelectronic devices CYNORA GMBH (DE) 2021-04-20 — — US disclosed
US-20200385399-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2020-12-10 — — US disclosed
EP-3478793-B1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-11-06 — — 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 (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-10981930-B2 Organic molecules for use in optoelectronic devices OR10J3, OR51E2, EPCAM KDM4E 4571/4885ATM 3780/4885L3MBTL1 4380/4885
US-20200385399-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, OR51E2, EPCAM KDM4E 4571/4885ATM 3780/4885L3MBTL1 4380/4885

“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.

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