SCHEMBL21171384

SCHEMBL21171384

Nc1ccc(-c2ccc(NCCC(=O)O)c(F)c2)nc1NCc1ccc2ncccc2c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.42
KDR P35968 8/20 0.40
SYK P43405 1/20 0.39
PDPK1 O15530 1/20 0.39
MET P08581 3/20 0.38
CDKL5 O76039 1/20 0.38
HDAC4 P56524 1/20 0.38
EP300 Q09472 1/20 0.38
MEF2D Q14814 1/20 0.38
FLT1 P17948 1/20 0.37
HPSE Q9Y251 1/20 0.37
ALDH1A1 P00352 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36

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
SCHEMBL21171630 0.91 HDAC3 (0.41) HDAC3KDRSYKPDPK1MET
SCHEMBL21171369 0.86 MET (0.47) HDAC3KDRSYKPDPK1MET
SCHEMBL21171992 0.84 MET (0.46) HDAC3KDRPDPK1METCDKL5
SCHEMBL22754394 0.82 HDAC3 (0.45) HDAC3KDRSYKPDPK1MET
SCHEMBL15296664 0.81 MET (0.46) HDAC3KDRSYKPDPK1MET
SCHEMBL19961116 0.81 SYK (0.46) HDAC3KDRSYKPDPK1MET
SCHEMBL21171388 0.81 MET (0.49) PDPK1METCDKL5
SCHEMBL22754338 0.81 SYK (0.43) HDAC3KDRSYKPDPK1MET
SCHEMBL21172009 0.80 MET (0.47) HDAC3KDRSYKPDPK1MET
SCHEMBL15296871 0.79 HDAC3 (0.43) HDAC3KDRSYKPDPK1MET

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 HDAC3 668/4885KDR 1089/4885SYK 870/4885
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 HDAC3 851/4885KDR 1171/4885SYK 810/4885

“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.