SCHEMBL22822263

SCHEMBL22822263

Cc1nc(C)nc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3cc(C#N)cc(C(F)(F)F)c3)c(-n3c4ccccc4c4cc(-c5nc(C)nc(C)n5)ccc43)cc2C#N)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 3/20 0.35
GPBAR1 Q8TDU6 1/20 0.35
RXRA P19793 1/20 0.33
RXRG P48443 1/20 0.33
XDH P47989 2/20 0.32
AR P10275 1/20 0.31
MAT2A P31153 1/20 0.31
MEN1 O00255 2/20 0.31
ALDH1A1 P00352 2/20 0.31
CYP1A2 P05177 2/20 0.31
CYP3A4 P08684 2/20 0.31
CYP2C19 P33261 2/20 0.31
KMT2A Q03164 2/20 0.31
CLK4 Q9HAZ1 2/20 0.31
MAPK1 P28482 1/20 0.31
LMNA P02545 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL20617200 0.96 RXRA (0.35) PTGER4GPBAR1RXRARXRGXDH
SCHEMBL19917955 0.95 PTGER4 (0.33) PTGER4GPBAR1XDHARMEN1
SCHEMBL22822467 0.95 PTGER4 (0.35) PTGER4GPBAR1RXRARXRGXDH
SCHEMBL20617199 0.95 GPBAR1 (0.35) PTGER4GPBAR1RXRARXRGXDH
SCHEMBL19912457 0.93 PTGER4 (0.32) PTGER4XDHARPSEN1PSEN2
SCHEMBL19903583 0.92 CTSS (0.33) XDHARPSEN1PSEN2APH1B
SCHEMBL20617201 0.91 RXRA (0.36) RXRARXRGXDHMAT2AMEN1
SCHEMBL22822262 0.91 RXRA (0.35) GPBAR1RXRARXRGXDHCYP1A2
SCHEMBL19903582 0.90 KIF11 (0.33) GPBAR1XDHARMEN1CYP1A2
SCHEMBL19903662 0.90 XDH (0.33) PTGER4GPBAR1XDHARMEN1

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 PTGER4 1657/4885GPBAR1 1603/4885RXRA 3552/4885
US-20200399256-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, ORC3, AOC3 PTGER4 1529/4885GPBAR1 3433/4885RXRA 3876/4885

“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.