SCHEMBL21171382

SCHEMBL21171382

Nc1ccc(-c2ccc(C(=O)NC3CCNCC3)cc2)nc1NCc1ccc2ncccc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 2/20 0.45
HDAC6 Q9UBN7 2/20 0.43
RIPK1 Q13546 1/20 0.43
NTRK1 P04629 1/20 0.41
ACP1 P24666 1/20 0.41
MAPK14 Q16539 1/20 0.40
MET P08581 2/20 0.40
CHEK2 O96017 1/20 0.40
STK17A Q9UEE5 1/20 0.40
SYK P43405 1/20 0.39
TTK P33981 1/20 0.39
SMYD3 Q9H7B4 2/20 0.39
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
FLT1 P17948 1/20 0.38
KDR P35968 1/20 0.38
HTR3A P46098 1/20 0.38
HDAC4 P56524 1/20 0.38
SUV39H1 O43463 1/20 0.38

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
SCHEMBL21171631 0.83 HDAC6 (0.47) HDAC6METSYKHDAC3HDAC1
SCHEMBL24067916 0.82 HDAC6 (0.46) HDAC6SYKHDAC3HDAC1HDAC2
SCHEMBL21171378 0.80 MET (0.49) MET
SCHEMBL22754334 0.80 SYK (0.46) HDAC6SYKHDAC3HDAC1HDAC2
SCHEMBL21171387 0.80 MAP4K4 (0.49) IKBKBHDAC6METSUV39H1
SCHEMBL24067886 0.80 HDAC6 (0.44) HDAC6METSYKHDAC3HDAC1
SCHEMBL21171652 0.79 MAP4K4 (0.48) IKBKBMETSUV39H1
SCHEMBL22754396 0.79 L3MBTL1 (0.51) IKBKBHDAC6METSYKHDAC1
SCHEMBL12124480 0.79 MET (0.52) MET
Hydrochloric Acid SCHEMBL1329845 0.78 MET (0.51) MET

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 IKBKB 270/4885HDAC6 914/4885RIPK1 469/4885
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 IKBKB 325/4885HDAC6 943/4885RIPK1 421/4885

“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.