SCHEMBL22822341

SCHEMBL22822341

N#Cc1cc(-c2cc(-n3c4ccccc4c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc43)c(C#N)cc2-n2c3ccccc3c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc32)cc(C(F)(F)F)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.36
RXRG P48443 1/20 0.36
CYP1A2 P05177 7/20 0.35
CYP3A4 P08684 6/20 0.35
MEN1 O00255 4/20 0.35
ALDH1A1 P00352 4/20 0.35
KMT2A Q03164 4/20 0.35
LMNA P02545 4/20 0.35
CYP2D6 P10635 4/20 0.35
TSHR P16473 3/20 0.35
CYP2C19 P33261 3/20 0.35
CLK4 Q9HAZ1 3/20 0.35
HSD17B10 Q99714 3/20 0.35
CYP2C9 P11712 2/20 0.35
MAPK1 P28482 2/20 0.33
TP53 P04637 2/20 0.33
KDM4E B2RXH2 2/20 0.33
XDH P47989 2/20 0.33
MAPT P10636 1/20 0.33
ABCG2 Q9UNQ0 2/20 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
SCHEMBL22822342 0.98 RXRA (0.37) RXRARXRGCYP1A2CYP3A4MEN1
SCHEMBL19917958 0.95 ABCG2 (0.33) CYP1A2CYP3A4MEN1ALDH1A1KMT2A
SCHEMBL20617201 0.94 RXRA (0.36) RXRARXRGCYP1A2CYP3A4MEN1
SCHEMBL22822345 0.94 RXRA (0.36) RXRARXRGCYP1A2CYP3A4MEN1
SCHEMBL19917799 0.93 ABCG2 (0.34) CYP1A2CYP3A4MEN1ALDH1A1KMT2A
SCHEMBL20617393 0.93 RXRA (0.37) RXRARXRGCYP1A2CYP3A4MEN1
SCHEMBL22822533 0.92 RXRA (0.38) RXRARXRGCYP1A2CYP3A4MEN1
SCHEMBL22822530 0.91 RXRA (0.39) RXRARXRGCYP1A2XDHPDPK1
SCHEMBL20617199 0.91 GPBAR1 (0.35) RXRARXRGCYP1A2CYP3A4MEN1
SCHEMBL19912456 0.91 ABCG2 (0.35) CYP1A2CYP3A4MEN1ALDH1A1KMT2A

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-11021473-B2 Organic molecules for use in organic optoelectronic devices CYNORA GMBH (DE) 2021-06-01 US disclosed
US-20200399256-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2020-12-24 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-11021473-B2 Organic molecules for use in organic optoelectronic devices OR10J3, OR51E2, OCIAD2 RXRA 3552/4885RXRG 3138/4885CYP1A2 250/4885
US-20200399256-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, ORC3, AOC3 RXRA 3876/4885RXRG 3543/4885CYP1A2 1150/4885

“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.