SCHEMBL1145646

SCHEMBL1145646

Cc1[nH]cc(C(N)=O)c(=O)c1Br

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
ATM Q13315 1/20 0.37
BRD4 O60885 2/20 0.33
NOTUM Q6P988 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRB2 P47870 1/20 0.33
MAP2K2 P36507 1/20 0.32
MAP2K1 Q02750 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CDC7 O00311 1/20 0.32
CSNK2A1 P68400 2/20 0.31
PIM3 Q86V86 2/20 0.31
CLK4 Q9HAZ1 1/20 0.31
SIRT3 Q9NTG7 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
DGAT1 O75907 1/20 0.31
PIM1 P11309 1/20 0.30

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
SCHEMBL2656486 0.83 CSNK2A1 (0.45) ALDH1A1NOTUMKDM4EHSD17B10CSNK2A1
SCHEMBL1146334 0.78 ALDH1A1 (0.37) ALDH1A1ATMBRD4NOTUMMAP2K2
SCHEMBL1628909 0.67 NOTUM (0.42) ALDH1A1ATMBRD4NOTUMMAP2K2
SCHEMBL23313118 0.67 NOTUM (0.41) ALDH1A1ATMBRD4NOTUMCDC7
SCHEMBL26240985 0.65 MAP2K2 (0.42) ALDH1A1ATMBRD4NOTUMMAP2K2
SCHEMBL14257467 0.65 ALDH1A1 (0.39) ALDH1A1ATMGABRA1GABRB1GABRA3
SCHEMBL20621867 0.64 CCNC (0.36) ALDH1A1ATMKDM4EHSD17B10CDC7
SCHEMBL15491101 0.63 CSNK2A1 (0.50) ALDH1A1NOTUMKDM4EHSD17B10CSNK2A1
SCHEMBL29450818 0.62 ALDH1A1 (0.77) ALDH1A1ATMGABRA1GABRB2PIM3
SCHEMBL1165508 0.62 ALDH1A1 (0.77) ALDH1A1ATMGABRA1GABRB2PIM3

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110028455-A1 Indole-substituted 3-cyanopyridines As Kinase Inhibitors WYETH LLC (US) 2011-02-03 US disclosed
EP-2229377-A1 5-ALKYL/ALKENYL-3-CYANOPYRIDINES AS KINASE INHIBITORS Wyeth LLC (US) 2010-09-22 EP disclosed
EP-2229376-A1 INDOLE-SUBSTITUTED 3-CYANOPYRIDINES AS KINASE INHIBITORS Wyeth LLC (US) 2010-09-22 EP disclosed
WO-2009076571-A1 INDOLE-SUBSTITUTED 3-CYANOPYRIDINES AS KINASE INHIBITORS WYETH (US) 2009-06-18 WO disclosed
WO-2009076602-A1 5-ALKYL/ALKENYL-3-CYANOPYRIDINES AS KINASE INHIBITORS WYETH (US) 2009-06-18 WO 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 (1 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-20110028455-A1 Indole-substituted 3-cyanopyridines As Kinase Inhibitors CNKSR1, CSNK1G3, GRK3 ALDH1A1 3642/4885ATM 783/4885BRD4 438/4885

“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.