SCHEMBL22822262

SCHEMBL22822262

Cc1nc(C)nc(-c2ccc3c4ccc(-c5nc(C)nc(C)n5)cc4n(-c4cc(-c5cc(C#N)cc(C(F)(F)F)c5)c(-n5c6cc(-c7nc(C)nc(C)n7)ccc6c6ccc(-c7nc(C)nc(C)n7)cc65)cc4C#N)c3c2)n1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.35
RXRG P48443 1/20 0.35
XDH P47989 3/20 0.34
GPBAR1 Q8TDU6 1/20 0.33
CYP1A2 P05177 1/20 0.31
METAP2 P50579 1/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 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
SCHEMBL20617199 0.96 GPBAR1 (0.35) RXRARXRGXDHGPBAR1CYP1A2
SCHEMBL19903589 0.95 CTSS (0.33) XDHPSEN1PSEN2APH1BNCSTN
SCHEMBL22822343 0.93 RXRA (0.35) RXRARXRGXDHGPBAR1CYP1A2
SCHEMBL20617200 0.92 RXRA (0.35) RXRARXRGXDHGPBAR1PSEN1
SCHEMBL19903582 0.91 KIF11 (0.33) XDHGPBAR1CYP1A2PSEN1PSEN2
SCHEMBL22822263 0.91 PTGER4 (0.35) RXRARXRGXDHGPBAR1CYP1A2
SCHEMBL22822465 0.91 GPBAR1 (0.35) RXRARXRGXDHGPBAR1CYP1A2
SCHEMBL19912455 0.89 AR (0.31) XDHPSEN1PSEN2APH1BNCSTN
SCHEMBL22822342 0.89 RXRA (0.37) RXRARXRGXDHCYP1A2
SCHEMBL20925051 0.88 XDH (0.34) XDHPSEN1PSEN2APH1BNCSTN

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 3138/4885XDH 430/4885
US-20200399256-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, ORC3, AOC3 RXRA 3876/4885RXRG 3543/4885XDH 125/4885

“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.