SCHEMBL21171371

SCHEMBL21171371

Nc1ccc(-c2ccc(OCC3CC3)c(F)c2)nc1NCc1ccc2ncccc2c1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SYK P43405 6/20 0.39
MET P08581 3/20 0.38
FFAR4 Q5NUL3 2/20 0.38
ALOX5AP P20292 2/20 0.38
FEN1 P39748 2/20 0.38
TLR9 Q9NR96 1/20 0.37
TLR8 Q9NR97 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
NPC1 O15118 1/20 0.36
PDPK1 O15530 1/20 0.36
CCNT1 O60563 1/20 0.36
HDAC3 O15379 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
SCHEMBL21171994 0.83 SYK (0.43) SYKMETNPC1PDPK1
SCHEMBL19961116 0.82 SYK (0.46) SYKMETNPC1PDPK1HDAC3
SCHEMBL22754338 0.81 SYK (0.43) SYKMETNPC1PDPK1HDAC3
SCHEMBL16520986 0.80 SYK (0.45) SYKMETNPC1PDPK1HDAC3
SCHEMBL21171369 0.80 MET (0.47) SYKMETPDPK1HDAC3
SCHEMBL15296664 0.79 MET (0.46) SYKMETPDPK1HDAC3
SCHEMBL21171378 0.78 MET (0.49) METALOX5APFEN1NPC1
SCHEMBL21167474 0.77 SYK (0.48) SYKMETNPC1HDAC3
SCHEMBL22754394 0.77 HDAC3 (0.45) SYKMETNPC1PDPK1HDAC3
SCHEMBL15296871 0.77 HDAC3 (0.43) SYKMETNPC1PDPK1HDAC3

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-10590129-B2 3,5-disubstituted-3H-imidazo[4,5-B]pyridine and 3,5-disubstituted-3H-[1,2,3]triazolo[4,5-B] pyridine compounds as modulators of protein kinases RHIZEN PHARMACEUTICALS SA (CH) 2020-03-17 US disclosed
US-20190218211-A1 NOVEL 3,5-DISUBSTITUTED-3H-IMIDAZO[4,5-B]PYRIDINE AND 3,5-DISUBSTITUTED -3H-[1,2,3]TRIAZOLO[4,5-B] PYRIDINE COMPOUNDS AS MODULATORS OF PROTEIN KINASES RHIZEN PHARMACEUTICALS AG (CH) 2019-07-18 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-10590129-B2 3,5-disubstituted-3H-imidazo[4,5-B]pyridine and 3,5-disubstituted-3H-[1,2,3]triazolo[4,5-B] pyridine compounds as modulators of protein kinases MAP4K2, MAP3K3, MAP3K1 SYK 870/4885MET 1142/4885FFAR4 2742/4885
US-20190218211-A1 NOVEL 3,5-DISUBSTITUTED-3H-IMIDAZO[4,5-B]PYRIDINE AND 3,5-DISUBSTITUTED -3H-[1,2,3]TRIAZOLO[4,5-B] PYRIDINE COMPOUNDS AS MODULATORS OF PROTEIN KINASES MAP4K2, MAP4K3, MAP3K1 SYK 810/4885MET 1570/4885FFAR4 2379/4885

“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.