SCHEMBL21547036

SCHEMBL21547036

Cn1c2ccccc2c2c1ccc1c3ccccc3n(-c3cc(C(F)(F)F)cc(-n4c5ccccc5c5ccc6c(c7ccccc7n6C)c54)c3-c3cccc(C#N)c3)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 1/20 0.43
▸ MAT2A P31153 1/20 0.38
▸ PTPN5 P54829 1/20 0.34
▸ TRPA1 O75762 1/20 0.33
▸ MAPT P10636 2/20 0.33
▸ TP53 P04637 2/20 0.33
▸ PTGDR2 Q9Y5Y4 1/20 0.32
▸ GRM2 Q14416 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ TGFBR1 P36897 1/20 0.32
▸ GRM5 P41594 1/20 0.32
▸ ENPP1 P22413 1/20 0.32
▸ NPY5R Q15761 1/20 0.31
▸ BRD4 O60885 1/20 0.31
▸ ALKBH5 Q6P6C2 1/20 0.31
▸ FTO Q9C0B1 1/20 0.31
▸ MEN1 O00255 1/20 0.31

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
SCHEMBL22564577 0.91 KIF11 (0.44) KIF11MAT2AMAPTNPY5RMEN1
SCHEMBL21547035 0.91 KIF11 (0.43) KIF11MAT2APTPN5TRPA1MAPT
SCHEMBL20616850 0.90 KIF11 (0.46) KIF11MAT2AMAPTTP53CYP1A2
SCHEMBL21546739 0.90 TP53 (0.35) MAPTTP53GRM2CYP1A2CYP3A4
SCHEMBL21547116 0.89 MAT2A (0.36) KIF11MAT2APTPN5TRPA1PTGDR2
SCHEMBL21547164 0.87 KIF11 (0.39) KIF11MAT2APTPN5MAPTTP53
SCHEMBL21928428 0.85 CYP11B2 (0.38) MAPTTP53GRM2CYP1A2CYP3A4
SCHEMBL21547034 0.84 MAT2A (0.38) KIF11MAT2APTPN5TRPA1PTGDR2
SCHEMBL21547027 0.84 MAT2A (0.40) KIF11MAT2APTPN5TRPA1PTGDR2
SCHEMBL21414201 0.84 GPR3 (0.36) KIF11MAPTTP53ALKBH5FTO

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 KIF11 2801/4885MAT2A 1149/4885PTPN5 4550/4885
US-20200385399-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, OR51E2, EPCAM KIF11 2801/4885MAT2A 1149/4885PTPN5 4550/4885

“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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