SCHEMBL22761226

SCHEMBL22761226

Cn1c2ccccc2c2c1ccc1c3ccccc3n(-c3cc(C(F)(F)F)c(-n4c5ccccc5c5ccc6c(c7ccccc7n6C)c54)cc3-c3cccc(C#N)c3)c12

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 1/20 0.36
▸ ENPP1 P22413 1/20 0.34
▸ GRM4 Q14833 1/20 0.32
▸ BRD4 O60885 1/20 0.32
▸ TP53 P04637 2/20 0.31
▸ MAPT P10636 1/20 0.31
▸ MAT2A P31153 1/20 0.31
▸ PTGDR2 Q9Y5Y4 1/20 0.31
▸ ACP1 P24666 1/20 0.31
▸ PDK2 Q15119 1/20 0.31
▸ GRM2 Q14416 1/20 0.31
▸ RORC P51449 1/20 0.31
▸ WDR5 P61964 1/20 0.30
▸ PTPN5 P54829 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ NPY5R Q15761 1/20 0.30

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
SCHEMBL22761225 0.91 KIF11 (0.36) KIF11ENPP1GRM4BRD4TP53
SCHEMBL21546701 0.89 ENPP1 (0.34) ENPP1PTGDR2ACP1PDK2PTPN5
SCHEMBL21546836 0.89 PIK3R1 (0.32) TP53RORC
SCHEMBL21547164 0.85 KIF11 (0.39) KIF11ENPP1TP53MAPTMAT2A
SCHEMBL21547155 0.85 KIF11 (0.35) KIF11ENPP1BRD4TP53MAPT
SCHEMBL21547036 0.84 KIF11 (0.43) KIF11ENPP1BRD4TP53MAPT
SCHEMBL22761041 0.84 CYP1A2 (0.34) BRD4TP53MAPTGRM2CYP1A2
SCHEMBL21546698 0.84 ENPP1 (0.36) ENPP1PTGDR2ACP1PDK2PTPN5
SCHEMBL21546691 0.83 ENPP1 (0.39) KIF11ENPP1BRD4PTGDR2ACP1
SCHEMBL22761165 0.83 ENPP1 (0.39) KIF11ENPP1BRD4MAT2APTGDR2

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 KIF11 2801/4885ENPP1 2388/4885GRM4 2933/4885
US-20200385399-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, OR51E2, EPCAM KIF11 2801/4885ENPP1 2388/4885GRM4 2933/4885

“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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