SCHEMBL20849587

SCHEMBL20849587

Cc1nc(C)nc(-c2ccc3c(c2)c2cc(-c4nc(C)nc(C)n4)ccc2n3-c2ccc(C#N)cc2-c2cc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)ccc2-n2c3ccc(-c4nc(C)nc(C)n4)cc3c3cc(-c4nc(C)nc(C)n4)ccc32)n1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.33
RXRG P48443 1/20 0.33
KIF11 P52732 1/20 0.33
PTGER4 P35408 1/20 0.32
ELANE P08246 2/20 0.32
GRM5 P41594 1/20 0.32
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
ICMT O60725 3/20 0.31
CYP11B2 P19099 1/20 0.31
MAT2A P31153 1/20 0.31
DGAT1 O75907 1/20 0.31
SOAT1 P35610 1/20 0.31
KCNH2 Q12809 1/20 0.31
TACR1 P25103 1/20 0.31
PIK3CD O00329 1/20 0.31
PIK3CA P42336 1/20 0.31
SCN9A Q15858 1/20 0.30
XDH P47989 1/20 0.30
GABRP O00591 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
SCHEMBL20849586 0.95 PTGER4 (0.39) RXRARXRGKIF11PTGER4ELANE
SCHEMBL20848961 0.95 CTSS (0.32) RXRARXRGKIF11PTGER4GRM5
SCHEMBL20849209 0.95 RXRA (0.32) RXRARXRGKIF11PTGER4ELANE
SCHEMBL20156216 0.95 RXRA (0.34) RXRARXRGKIF11PTGER4ELANE
SCHEMBL20849082 0.91 RXRA (0.33) RXRARXRGKIF11PTGER4ELANE
SCHEMBL20849199 0.91 PTGER4 (0.37) PTGER4ELANEGRM5ICMTTACR1
SCHEMBL20848968 0.91 PTGER4 (0.37) PTGER4GRM5CTSSCTSKTACR1
SCHEMBL20155940 0.89 RXRA (0.34) RXRARXRGKIF11PTGER4ELANE
SCHEMBL20655556 0.89 RXRA (0.34) RXRARXRGICMTCYP11B2PIK3CA
SCHEMBL20849275 0.89 KIF11 (0.41) RXRARXRGKIF11ICMTCYP11B2

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-10978646-B2 Organic molecules for use in optoelectronic devices CYNORA GMBH (DE) 2021-04-13 US disclosed
US-20190097141-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2019-03-28 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-10978646-B2 Organic molecules for use in optoelectronic devices OCIAD2, OCIAD1, POU2F1 RXRA 1822/4885RXRG 1841/4885KIF11 419/4885
US-20190097141-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OCIAD2, OCIAD1, POU2F1 RXRA 1822/4885RXRG 1841/4885KIF11 419/4885

“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.