SCHEMBL21623453

SCHEMBL21623453

c1ccc(COc2ccc(Nc3cccc(OC4COC4)c3)c(C3CC3)c2)nc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 6/20 0.41
▸ ERBB2 P04626 3/20 0.41
▸ DGAT1 O75907 1/20 0.38
▸ KCNH2 Q12809 1/20 0.36
▸ RHOA P61586 1/20 0.36
▸ PTK6 Q13882 1/20 0.36
▸ TYK2 P29597 1/20 0.35
▸ JAK3 P52333 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ TSHR P16473 1/20 0.35

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
SCHEMBL31504421 1.00 EGFR (0.41) EGFRERBB2DGAT1KCNH2RHOA
SCHEMBL21623513 0.91 EGFR (0.43) EGFRERBB2DGAT1KCNH2RHOA
SCHEMBL31504332 0.91 EGFR (0.43) EGFRERBB2DGAT1KCNH2RHOA
SCHEMBL23272832 0.87 TYK2 (0.39) EGFRERBB2DGAT1RHOATYK2
SCHEMBL31504427 0.87 TYK2 (0.39) EGFRERBB2DGAT1RHOATYK2
SCHEMBL21617195 0.83 MET (0.44) EGFRERBB2DGAT1RHOAPTK6
SCHEMBL23307998 0.83 EGFR (0.39) EGFRERBB2DGAT1KCNH2RHOA
SCHEMBL21623448 0.81 DGAT1 (0.40) DGAT1RHOAPTK6TYK2JAK3
SCHEMBL21623405 0.81 CNR2 (0.39) EGFRERBB2DGAT1RHOATYK2
SCHEMBL31504346 0.81 CNR2 (0.39) EGFRERBB2DGAT1RHOATYK2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12421206-B2 Aryl-n-aryl derivatives for treating a RNA virus infection ABIVAX (FR) 2025-09-23 — — US disclosed
US-20210122732-A1 ARYL-N-ARYL DERIVATIVES FOR TREATING A RNA VIRUS INFECTION ABIVAX (FR) 2021-04-29 — — US disclosed
US-20210122732-A1 ARYL-N-ARYL DERIVATIVES FOR TREATING A RNA VIRUS INFECTION ABIVAX (FR) 2021-04-29 — — US disclosed
WO-2020011816-A1 PHENYL/PYRIDYL-N-PHENYL/PYRIDYL DERIVATIVES FOR TREATING A RNA VIRUS INFECTION ABIVAX (FR) 2020-01-16 — — WO 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-12421206-B2 Aryl-n-aryl derivatives for treating a RNA virus infection NSUN3, CBR3, C1R EGFR 1138/4885ERBB2 1602/4885DGAT1 2912/4885
US-20210122732-A1 ARYL-N-ARYL DERIVATIVES FOR TREATING A RNA VIRUS INFECTION NSUN3, CBR3, C1R EGFR 1138/4885ERBB2 1602/4885DGAT1 2912/4885

“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.

Send feedback