SCHEMBL21617111

SCHEMBL21617111

O=C(Nc1ncccn1)c1ccc(Nc2ccccc2C(=O)NCCC(F)(F)F)c(C2CC2)c1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.38
▸ HSD17B13 Q7Z5P4 1/20 0.38
▸ GPR52 Q9Y2T5 1/20 0.37
▸ NR1H4 Q96RI1 5/20 0.36
▸ PPARG P37231 3/20 0.36
▸ LMNA P02545 1/20 0.36
▸ NR3C1 P04150 1/20 0.35
▸ IL6 P05231 1/20 0.35
▸ PTGS2 P35354 2/20 0.35
▸ SCN9A Q15858 1/20 0.35
▸ DHODH Q02127 2/20 0.34
▸ PPARA Q07869 1/20 0.34
▸ POLB P06746 1/20 0.34

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
SCHEMBL31611960 0.86 KMT2A (0.43) PKMNR1H4LMNA
SCHEMBL21617101 0.86 KMT2A (0.43) PKMNR1H4LMNA
SCHEMBL28636905 0.82 GPR52 (0.34) HSD17B13GPR52PTGS2DHODH
SCHEMBL21617002 0.80 GPR52 (0.33) PKMHSD17B13GPR52LMNAPTGS2
SCHEMBL21617254 0.80 FGFR4 (0.38) GPR52POLB
SCHEMBL28618751 0.69 KMT2A (0.39) PTGS2
SCHEMBL22899612 0.67 SMN1; SMN2 (0.38) PKMLMNA
SCHEMBL29486220 0.67 SMN1; SMN2 (0.38) PKMLMNA
SCHEMBL21617159 0.66 CNR2 (0.42) POLB
SCHEMBL21616999 0.66 SMN1; SMN2 (0.36) PKMLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11739073-B2 Aryl-n-aryl derivatives for treating a RNA virus infection ABIVAX (FR) 2023-08-29 — — US disclosed
US-11739073-B2 Aryl-n-aryl derivatives for treating a RNA virus infection ABIVAX (FR) 2023-08-29 — — US disclosed
US-11739073-B2 Aryl-n-aryl derivatives for treating a RNA virus infection ABIVAX (FR) 2023-08-29 — — US disclosed
US-20210300871-A1 ARYL-N-ARYL DERIVATIVES FOR TREATING A RNA VIRUS INFECTION ABIVAX (FR) 2021-09-30 — — US disclosed
US-20210300871-A1 ARYL-N-ARYL DERIVATIVES FOR TREATING A RNA VIRUS INFECTION ABIVAX (FR) 2021-09-30 — — US disclosed
EP-3820848-A1 ARYL-N-ARYL DERIVATIVES FOR TREATING A RNA VIRUS INFECTION ABIVAX (FR) 2021-05-19 — — EP disclosed
WO-2020011811-A1 ARYL-N-ARYL DERIVATIVES FOR TREATING A RNA VIRUS INFECTION ABIVAX (FR) 2020-01-16 — — WO disclosed
WO-2020011811-A1 ARYL-N-ARYL 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-20210300871-A1 ARYL-N-ARYL DERIVATIVES FOR TREATING A RNA VIRUS INFECTION HAVCR2, CBR3, C1R PKM 3365/4885HSD17B13 1530/4885GPR52 1054/4885
US-11739073-B2 Aryl-n-aryl derivatives for treating a RNA virus infection HAVCR2, CBR3, C1R PKM 3365/4885HSD17B13 1530/4885GPR52 1054/4885

“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.

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