SCHEMBL20849586

SCHEMBL20849586

Cc1nc(C)nc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(C#N)cc2-c2cc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)ccc2-n2c3ccccc3c3cc(-c4nc(C)nc(C)n4)ccc32)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 2/20 0.39
ICMT O60725 2/20 0.33
TACR1 P25103 2/20 0.32
ELANE P08246 2/20 0.32
GRM5 P41594 1/20 0.32
GPBAR1 Q8TDU6 1/20 0.31
PDPK1 O15530 1/20 0.31
RXRA P19793 1/20 0.31
RXRG P48443 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

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
SCHEMBL20849199 0.96 PTGER4 (0.37) PTGER4ICMTTACR1ELANEGRM5
SCHEMBL20848968 0.96 PTGER4 (0.37) PTGER4TACR1GRM5GPBAR1PDPK1
SCHEMBL20849587 0.95 RXRA (0.33) PTGER4ICMTTACR1ELANEGRM5
SCHEMBL20849080 0.92 PTGER4 (0.38) PTGER4ICMTTACR1GRM5GPBAR1
SCHEMBL20849209 0.91 RXRA (0.32) PTGER4ICMTELANEGRM5RXRA
SCHEMBL22243073 0.91 CYP1A2 (0.35) PTGER4ICMTTACR1PDPK1RXRA
SCHEMBL20849029 0.91 CYP1A2 (0.35) PTGER4ICMTTACR1PDPK1RXRA
SCHEMBL20848961 0.91 CTSS (0.32) PTGER4GRM5RXRARXRGMAT2A
SCHEMBL20156216 0.91 RXRA (0.34) PTGER4ICMTTACR1ELANEGRM5
SCHEMBL20155963 0.90 PTGER4 (0.34) PTGER4TACR1ELANEGRM5GPBAR1

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 PTGER4 3716/4885ICMT 616/4885TACR1 2846/4885
US-20190097141-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OCIAD2, OCIAD1, POU2F1 PTGER4 3716/4885ICMT 616/4885TACR1 2846/4885

“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.