SCHEMBL21171369

SCHEMBL21171369

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

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MET P08581 9/20 0.47
CDKL5 O76039 1/20 0.47
HDAC3 O15379 1/20 0.44
KCNH2 Q12809 1/20 0.44
KDR P35968 6/20 0.43
PDPK1 O15530 1/20 0.43
MCL1 Q07820 1/20 0.42
SYK P43405 1/20 0.42
FLT1 P17948 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL15296664 0.91 MET (0.46) METCDKL5HDAC3KCNH2KDR
SCHEMBL21171992 0.91 MET (0.46) METCDKL5HDAC3KCNH2KDR
SCHEMBL21171388 0.91 MET (0.49) METCDKL5KCNH2PDPK1
SCHEMBL21171402 0.88 MET (0.46) METCDKL5HDAC3KCNH2KDR
SCHEMBL21172009 0.88 MET (0.47) METCDKL5HDAC3KCNH2KDR
SCHEMBL21171415 0.87 MET (0.46) METCDKL5HDAC3KCNH2KDR
SCHEMBL21171384 0.86 HDAC3 (0.42) METCDKL5HDAC3KDRPDPK1
SCHEMBL21171544 0.86 MET (0.45) METCDKL5HDAC3KCNH2KDR
SCHEMBL21171378 0.86 MET (0.49) METCDKL5KCNH2
SCHEMBL22754394 0.86 HDAC3 (0.45) METCDKL5HDAC3KCNH2KDR

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 MET 1142/4885CDKL5 301/4885HDAC3 668/4885
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 MET 1570/4885CDKL5 328/4885HDAC3 851/4885

“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.