SCHEMBL21171982

SCHEMBL21171982

Nc1ccc(-c2ccc(C(=O)NCCN3CCCC3)c(F)c2)nc1NCc1ccc2ncccc2c1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MET P08581 13/20 0.55
MAP4K4 O95819 2/20 0.45
PDPK1 O15530 2/20 0.44
CDKL5 O76039 1/20 0.44
IKBKB O14920 1/20 0.43
KCNH2 Q12809 2/20 0.42
MCHR1 Q99705 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
SCHEMBL24067801 0.91 MET (0.45) METMAP4K4PDPK1IKBKBKCNH2
SCHEMBL21171386 0.90 MET (0.47) METPDPK1CDKL5KCNH2MCHR1
SCHEMBL21171553 0.89 MET (0.47) METPDPK1CDKL5KCNH2
SCHEMBL21171387 0.89 MAP4K4 (0.49) METMAP4K4IKBKBKCNH2
SCHEMBL21171652 0.88 MAP4K4 (0.48) METMAP4K4IKBKBKCNH2
SCHEMBL21172009 0.88 MET (0.47) METPDPK1CDKL5KCNH2
SCHEMBL21171389 0.86 MET (0.48) METPDPK1CDKL5KCNH2
SCHEMBL21171388 0.85 MET (0.49) METPDPK1CDKL5KCNH2
SCHEMBL21171992 0.85 MET (0.46) METPDPK1CDKL5KCNH2
SCHEMBL21171378 0.84 MET (0.49) METCDKL5KCNH2

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 1142/4885MAP4K4 35/4885PDPK1 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 1570/4885MAP4K4 28/4885PDPK1 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.