SCHEMBL19917811

SCHEMBL19917811

N#Cc1cc(C#N)cc(-c2ccc3c(c2)c2cc(-c4cc(C#N)cc(C#N)c4)ccc2n3-c2cc(C#N)c(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2-n2c3ccc(-c4cc(C#N)cc(C#N)c4)cc3c3cc(-c4cc(C#N)cc(C#N)c4)ccc32)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.41
RXRG P48443 1/20 0.41
XDH P47989 1/20 0.35
KIF11 P52732 3/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
ICMT O60725 6/20 0.32
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
APP P05067 1/20 0.31
BACE1 P56817 1/20 0.31
NAAA Q02083 1/20 0.31
CYP1A2 P05177 1/20 0.31
METAP2 P50579 1/20 0.31
P2RY14 Q15391 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
SCHEMBL22822463 0.99 RXRA (0.42) RXRARXRGXDHKIF11CYP11B1
SCHEMBL22822659 0.99 RXRA (0.42) RXRARXRGXDHKIF11CYP11B1
SCHEMBL19903693 0.95 RXRA (0.38) RXRARXRGXDHKIF11CYP11B1
SCHEMBL19917914 0.94 CYP11B1 (0.37) RXRARXRGXDHKIF11CYP11B1
SCHEMBL20617112 0.94 RXRA (0.39) RXRARXRGXDHKIF11CYP11B1
SCHEMBL22822680 0.94 RXRA (0.39) RXRARXRGXDHKIF11CYP11B1
SCHEMBL20617111 0.93 KIF11 (0.43) RXRARXRGXDHKIF11CYP11B1
SCHEMBL19917996 0.92 RXRA (0.41) RXRARXRGXDHKIF11CYP11B1
SCHEMBL19903476 0.92 KIF11 (0.43) RXRARXRGKIF11CYP11B1CYP11B2
SCHEMBL22822572 0.92 RXRA (0.39) RXRARXRGXDHKIF11CYP11B1

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 RXRA 3779/4885RXRG 3669/4885XDH 91/4885
US-20180062086-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, ORC3, AOC3 RXRA 3635/4885RXRG 3474/4885XDH 68/4885

“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.