SCHEMBL21171387

SCHEMBL21171387

Nc1ccc(-c2ccc(C(=O)NCCN3CCCC3)cc2)nc1NCc1ccc2ncccc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.49
ATR Q13535 4/20 0.46
IKBKB O14920 3/20 0.46
CHUK O15111 1/20 0.46
MAPK10 P53779 1/20 0.46
HPGDS O60760 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HTR1A P08908 1/20 0.44
ADRA2A P08913 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44
ADRA1D P25100 1/20 0.44
HTR2A P28223 1/20 0.44
ADRA1A P35348 1/20 0.44
HRH1 P35367 1/20 0.44
ADRA1B P35368 1/20 0.44
DRD3 P35462 1/20 0.44
KCNH2 Q12809 1/20 0.44
BRAF P15056 1/20 0.43

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
SCHEMBL21171652 0.99 MAP4K4 (0.48) MAP4K4ATRIKBKBCHUKMAPK10
SCHEMBL24067801 0.89 MET (0.45) MAP4K4IKBKBCHUKMAPK10KCNH2
SCHEMBL21171982 0.89 MET (0.55) MAP4K4IKBKBKCNH2MET
SCHEMBL21171631 0.88 HDAC6 (0.47) MAP4K4ATRMETHDAC6
SCHEMBL24067916 0.86 HDAC6 (0.46) HDAC6
SCHEMBL24067886 0.84 HDAC6 (0.44) METHDAC6
SCHEMBL22754396 0.83 L3MBTL1 (0.51) MAP4K4IKBKBCHUKMAPTMET
SCHEMBL21171382 0.80 IKBKB (0.45) IKBKBMETSUV39H1HDAC6
SCHEMBL22754477 0.80 CHKA (0.39) MAP4K4HTR1AHTR2ADRD3KCNH2
SCHEMBL21171545 0.80 CCR3 (0.49) ATRIKBKB

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 MAP4K4 35/4885ATR 583/4885IKBKB 270/4885
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 MAP4K4 28/4885ATR 575/4885IKBKB 325/4885

“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.