SCHEMBL22243166

SCHEMBL22243166

N#Cc1cc(C#N)c(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c(-c3cc(C#N)ccc3-n3c4ccccc4c4cc(-c5c(C#N)cc(C#N)cc5C#N)ccc43)c2)c(C#N)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.33
ALDH1A1 P00352 3/20 0.32
LMNA P02545 2/20 0.32
MEN1 O00255 2/20 0.32
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2C19 P33261 2/20 0.32
KMT2A Q03164 2/20 0.32
CLK4 Q9HAZ1 2/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ABCG2 Q9UNQ0 5/20 0.32
MAPK1 P28482 2/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ABCB1 P08183 2/20 0.31
GABRA1 P14867 1/20 0.31
GABRG2 P18507 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
SCHEMBL22243165 0.97 ALDH1A1 (0.33) ALDH1A1LMNAMEN1CYP1A2CYP3A4
SCHEMBL22243127 0.94 PTGER4 (0.33) PTGER4ALDH1A1LMNAMEN1CYP1A2
SCHEMBL20794297 0.93 CYP1A2 (0.37) PTGER4ALDH1A1LMNAMEN1CYP1A2
SCHEMBL22243225 0.92 CYP1A2 (0.35) PTGER4ALDH1A1LMNAMEN1CYP1A2
SCHEMBL22243162 0.92 PTGER4 (0.35) PTGER4ALDH1A1LMNAMEN1CYP1A2
SCHEMBL22242992 0.91 NR3C1 (0.38) PTGER4ALDH1A1LMNAMEN1CYP1A2
SCHEMBL22242984 0.91 PTGER4 (0.36) PTGER4ALDH1A1LMNAMEN1CYP1A2
SCHEMBL22243128 0.91 NR3C1 (0.34) ALDH1A1LMNAMEN1CYP1A2CYP3A4
SCHEMBL22243102 0.91 CYP1A2 (0.36) PTGER4ALDH1A1LMNAMEN1CYP1A2
SCHEMBL22243218 0.91 CYP1A2 (0.36) PTGER4ALDH1A1LMNAMEN1CYP1A2

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-11600783-B2 Organic molecules for use in optoelectronic devices SAMSUNG DISPLAY CO., LTD. (KR) 2023-03-07 US disclosed
US-20200235308-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2020-07-23 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-20200235308-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OXER1, OR10J3, OXGR1 PTGER4 1244/4885ALDH1A1 869/4885LMNA 4272/4885
US-11600783-B2 Organic molecules for use in optoelectronic devices OR10J3, OR51E2, ALDH1A2 PTGER4 1668/4885ALDH1A1 48/4885LMNA 4103/4885

“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.