SCHEMBL19917822

SCHEMBL19917822

N#Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(C#N)c(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2-n2c3ccccc3c3cc(-c4ccc(C#N)cc4)ccc32)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.39
PDK2 Q15119 1/20 0.35
PTGER4 P35408 1/20 0.35
RXRA P19793 1/20 0.34
RXRG P48443 1/20 0.34
PDPK1 O15530 1/20 0.34
DGAT1 O75907 1/20 0.34
SOAT1 P35610 1/20 0.34
KCNH2 Q12809 1/20 0.34
TACR1 P25103 2/20 0.33
PTPN5 P54829 1/20 0.32
PGR P06401 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
AR P10275 1/20 0.32

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
SCHEMBL22822163 0.97 KIF11 (0.39) KIF11PDK2PTGER4RXRARXRG
SCHEMBL19903476 0.95 KIF11 (0.43) KIF11PDK2RXRARXRGDGAT1
SCHEMBL19917824 0.94 KIF11 (0.39) KIF11PDK2RXRARXRGPDPK1
SCHEMBL22822680 0.94 RXRA (0.39) KIF11PTGER4RXRARXRGPDPK1
SCHEMBL19903592 0.94 KIF11 (0.39) KIF11PDK2PTGER4RXRARXRG
SCHEMBL19903544 0.94 XDH (0.34) KIF11RXRARXRGTACR1CYP11B1
SCHEMBL22564184 0.93 RXRA (0.40) KIF11PDK2RXRARXRGTACR1
SCHEMBL19903693 0.93 RXRA (0.38) KIF11PTGER4RXRARXRGPDPK1
SCHEMBL19903697 0.93 KIF11 (0.33) KIF11PTGER4RXRARXRGPDPK1
SCHEMBL19918008 0.92 STS (0.34) KIF11PTGER4RXRARXRGPDPK1

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-10439151-B2 Organic molecules, especially for use in organic optoelectronic devices CYNORA GMBH (DE) 2019-10-08 US disclosed
US-20180062086-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2018-03-01 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-10439151-B2 Organic molecules, especially for use in organic optoelectronic devices OR10J3, ORC3, AOC3 KIF11 3253/4885PDK2 3373/4885PTGER4 1093/4885
US-20180062086-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, ORC3, AOC3 KIF11 3316/4885PDK2 3319/4885PTGER4 993/4885

“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.