SCHEMBL21364355

SCHEMBL21364355

N#Cc1ccc(-c2ccc(-n3c4ccc(C(F)(F)F)cc4c4cc(C(F)(F)F)ccc43)c(-c3ccc(-n4c5ccc(C(F)(F)F)cc5c5cc(C(F)(F)F)ccc54)c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.40
DGAT1 O75907 1/20 0.39
SOAT1 P35610 1/20 0.39
KCNH2 Q12809 1/20 0.39
ABCG2 Q9UNQ0 9/20 0.38
ABCB1 P08183 5/20 0.38
ABCC1 P33527 2/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
DHODH Q02127 1/20 0.35
PTPN5 P54829 1/20 0.34
SYK P43405 1/20 0.34
PDK2 Q15119 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL21364353 0.97 KIF11 (0.38) KIF11DGAT1SOAT1KCNH2ABCG2
SCHEMBL27022493 0.95 KIF11 (0.40) KIF11DGAT1SOAT1KCNH2ABCG2
SCHEMBL21364838 0.95 KIF11 (0.42) KIF11DGAT1SOAT1KCNH2ABCG2
SCHEMBL21365094 0.94 ABCG2 (0.39) KIF11DGAT1SOAT1KCNH2ABCG2
SCHEMBL21364262 0.93 PTPN5 (0.40) ABCG2PTGDR2PTPN5PDK2LMNA
SCHEMBL21364844 0.93 TACR1 (0.36) KIF11DGAT1SOAT1KCNH2ABCG2
SCHEMBL27022492 0.93 KIF11 (0.38) KIF11DGAT1SOAT1KCNH2ABCG2
SCHEMBL27022517 0.93 KIF11 (0.38) KIF11DGAT1SOAT1KCNH2ABCG2
SCHEMBL23965880 0.92 KIF11 (0.40) KIF11DGAT1SOAT1KCNH2ABCG2
SCHEMBL20910792 0.92 KIF11 (0.41) KIF11DGAT1SOAT1KCNH2ABCG2

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-11161836-B2 Organic molecules for optoelectronic devices CYNORA GMBH (DE) 2021-11-02 US disclosed
US-20190284174-A1 ORGANIC MOLECULES FOR OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2019-09-19 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-20190284174-A1 ORGANIC MOLECULES FOR OPTOELECTRONIC DEVICES OR10J3, OR51E2, OCIAD2 KIF11 2121/4885DGAT1 908/4885SOAT1 156/4885
US-11161836-B2 Organic molecules for optoelectronic devices OR10J3, OR51E2, OCIAD2 KIF11 2121/4885DGAT1 908/4885SOAT1 156/4885

“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.