SCHEMBL21172009

SCHEMBL21172009

NCCCNC(=O)c1ccc(-c2ccc(N)c(NCc3ccc4ncccc4c3)n2)cc1F

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MET P08581 11/20 0.47
CDKL5 O76039 1/20 0.46
PDPK1 O15530 2/20 0.44
KCNH2 Q12809 1/20 0.43
SYK P43405 4/20 0.42
HDAC3 O15379 1/20 0.39
KDR P35968 2/20 0.39

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
SCHEMBL21171992 0.89 MET (0.46) METCDKL5PDPK1KCNH2HDAC3
SCHEMBL21171388 0.89 MET (0.49) METCDKL5PDPK1KCNH2
SCHEMBL21171389 0.88 MET (0.48) METCDKL5PDPK1KCNH2SYK
SCHEMBL21171369 0.88 MET (0.47) METCDKL5PDPK1KCNH2SYK
SCHEMBL21171982 0.88 MET (0.55) METCDKL5PDPK1KCNH2
SCHEMBL21171415 0.87 MET (0.46) METCDKL5PDPK1KCNH2SYK
SCHEMBL21172000 0.87 MET (0.46) METCDKL5PDPK1KCNH2SYK
SCHEMBL21171386 0.86 MET (0.47) METCDKL5PDPK1KCNH2
SCHEMBL21171553 0.86 MET (0.47) METCDKL5PDPK1KCNH2
SCHEMBL21171402 0.85 MET (0.46) METCDKL5PDPK1KCNH2HDAC3

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 301/4885PDPK1 78/4885
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 328/4885PDPK1 65/4885

“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.