SCHEMBL21928458

SCHEMBL21928458

N#Cc1ccc(-c2c(-n3c4ccccc4c4ccc(C(F)(F)F)cc43)cncc2-n2c3ccccc3c3ccc(C(F)(F)F)cc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.42
PDPK1 O15530 1/20 0.38
DGAT1 O75907 1/20 0.38
SOAT1 P35610 1/20 0.38
KCNH2 Q12809 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP3A5 P20815 1/20 0.37
MAOB P27338 1/20 0.36
PTGER4 P35408 1/20 0.34
CYP1A2 P05177 1/20 0.34
METAP2 P50579 1/20 0.34
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 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
SCHEMBL21928456 0.94 KIF11 (0.47) KIF11PDPK1DGAT1SOAT1KCNH2
SCHEMBL21928461 0.94 KIF11 (0.42) KIF11PDPK1DGAT1SOAT1KCNH2
SCHEMBL21929293 0.91 GRIN1 (0.36) KIF11PDPK1CYP3A4CYP3A5PTGER4
SCHEMBL24739666 0.90 ALOX5AP (0.36) KIF11PDPK1DGAT1SOAT1KCNH2
SCHEMBL21929209 0.89 MAT2A (0.44) KIF11CYP1A2METAP2GRIN1GRIN2B
SCHEMBL21931742 0.89 KIF11 (0.42) KIF11PDPK1PTGER4CYP11B2
SCHEMBL21929028 0.88 KIF11 (0.47) KIF11DGAT1SOAT1KCNH2CYP3A4
SCHEMBL21928443 0.87 PTGER4 (0.39) PDPK1PTGER4GABRA1GABRG2GABRB3
SCHEMBL21929294 0.86 KIF11 (0.36) KIF11PDPK1CYP3A4CYP3A5PTGER4
SCHEMBL24739663 0.86 ALOX5AP (0.36) KIF11PDPK1DGAT1SOAT1KCNH2

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-20220388960-A1 ORGANIC MOLECULES FOR USE IN LIGHT-EMITTING DEVICES CYNORA GMBH (DE) 2022-12-08 US disclosed
EP-3609978-B1 ORGANIC MOLECULES IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2021-03-17 EP disclosed
US-20200136054-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2020-04-30 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-20200136054-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, OGFR, OR51E2 KIF11 4417/4885PDPK1 4561/4885DGAT1 3688/4885
US-20220388960-A1 ORGANIC MOLECULES FOR USE IN LIGHT-EMITTING DEVICES ALDH1A2, AOX1, CYBA KIF11 3588/4885PDPK1 4445/4885DGAT1 1206/4885

“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.