SCHEMBL22760810

SCHEMBL22760810

Cn1c2ccccc2c2ccc3c4ccccc4n(-c4cc(C#N)c(-c5cccc(C#N)c5)cc4-n4c5ccccc5c5ccc6c7ccccc7n(C)c6c54)c3c21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALKBH5 Q6P6C2 1/20 0.37
▸ FTO Q9C0B1 1/20 0.37
▸ BRD4 O60885 1/20 0.36
▸ CYP1A2 P05177 4/20 0.36
▸ CYP3A4 P08684 4/20 0.36
▸ CYP2D6 P10635 3/20 0.36
▸ TSHR P16473 2/20 0.36
▸ MEN1 O00255 3/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ CYP2C19 P33261 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ CLK4 Q9HAZ1 3/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ ADORA2A P29274 1/20 0.35
▸ HSP90AA1 P07900 1/20 0.34
▸ IDO1 P14902 1/20 0.34
▸ ADRA2C P18825 1/20 0.34

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
SCHEMBL22761041 0.90 CYP1A2 (0.34) ALKBH5FTOBRD4CYP1A2CYP3A4
SCHEMBL22761259 0.88 ADORA2A (0.38) CYP1A2CYP3A4CYP2D6TSHRMEN1
SCHEMBL21547064 0.85 ADORA2A (0.38) BRD4CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL22822658 0.85 KIF11 (0.41) ALKBH5FTOBRD4CYP1A2HSP90AA1
SCHEMBL22760961 0.84 ALDH1A3 (0.39) CYP1A2CYP3A4CYP2D6TSHRMEN1
SCHEMBL21546741 0.83 ALKBH5 (0.40) ALKBH5FTOBRD4CYP1A2CYP3A4
SCHEMBL21547067 0.83 ADORA2A (0.38) BRD4CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL22760628 0.82 ADORA2A (0.36) BRD4CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL21547051 0.82 ADORA2A (0.36) BRD4CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL22760963 0.82 ALDH1A3 (0.39) CYP1A2CYP3A4CYP2D6TSHRMEN1

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-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

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 ALKBH5 962/4885FTO 271/4885BRD4 2909/4885
US-20200385399-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, OR51E2, EPCAM ALKBH5 962/4885FTO 271/4885BRD4 2909/4885

“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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