SCHEMBL21929028

SCHEMBL21929028

N#Cc1ccc(-c2c(-n3c4ccc(C(F)(F)F)cc4c4cc(C(F)(F)F)ccc43)cncc2-n2c3ccc(C(F)(F)F)cc3c3cc(C(F)(F)F)ccc32)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.47
DGAT1 O75907 1/20 0.41
SOAT1 P35610 1/20 0.41
KCNH2 Q12809 1/20 0.41
CYP19A1 P11511 3/20 0.39
MAOB P27338 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP3A5 P20815 1/20 0.38
CYP1A2 P05177 1/20 0.37
METAP2 P50579 1/20 0.37
KDM1A O60341 2/20 0.37
CYP11B2 P19099 2/20 0.37
GABRP O00591 1/20 0.37
GABRD O14764 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37

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
SCHEMBL21928461 0.94 KIF11 (0.42) KIF11DGAT1SOAT1KCNH2CYP19A1
SCHEMBL21928456 0.90 KIF11 (0.47) KIF11DGAT1SOAT1KCNH2CYP19A1
SCHEMBL24739662 0.90 KIF11 (0.40) KIF11DGAT1SOAT1KCNH2CYP19A1
SCHEMBL24738571 0.89 KIF11 (0.39) KIF11DGAT1SOAT1KCNH2CYP19A1
SCHEMBL21929232 0.89 KIF11 (0.48) KIF11CYP19A1KDM1ACYP11B2
SCHEMBL21929228 0.88 MAT2A (0.45) CYP1A2METAP2PTGDR2GRIN1GRIN2B
SCHEMBL21928458 0.88 KIF11 (0.42) KIF11DGAT1SOAT1KCNH2MAOB
SCHEMBL21928459 0.86 AR (0.38) KDM1ACYP11B2CYP11B1PGR
SCHEMBL24739663 0.85 ALOX5AP (0.36) KIF11DGAT1SOAT1KCNH2MAOB
SCHEMBL21929294 0.85 KIF11 (0.36) KIF11CYP3A4CYP3A5CYP1A2METAP2

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 4417/4885DGAT1 3688/4885SOAT1 696/4885
US-20220388960-A1 ORGANIC MOLECULES FOR USE IN LIGHT-EMITTING DEVICES ALDH1A2, AOX1, CYBA KIF11 3588/4885DGAT1 1206/4885SOAT1 420/4885

“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.