SCHEMBL12409372

SCHEMBL12409372

CCOC(=O)c1c[nH]c2ncc(Br)cc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.53
GABRB1 P18505 1/20 0.53
GABRA3 P34903 1/20 0.53
GABRB2 P47870 1/20 0.53
AXL P30530 5/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
NUDT1 P36639 1/20 0.48
MAPK1 P28482 1/20 0.46
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 2/20 0.45
GAA P10253 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
JAK2 O60674 5/20 0.44
JAK3 P52333 5/20 0.44
OPRK1 P41145 1/20 0.44
NR4A2 P43354 1/20 0.44
POLB P06746 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL30676600 0.86 AXL (0.63) AXLJAK2JAK3OPRK1NR4A2
SCHEMBL1427263 0.86 AXL (0.63) AXLJAK2JAK3OPRK1NR4A2
SCHEMBL8321080 0.84 PDPK1 (0.42) GABRA1GABRB1GABRA3GABRB2AXL
SCHEMBL8313411 0.84 PDPK1 (0.42) GABRA1GABRB1GABRA3GABRB2AXL
SCHEMBL7968762 0.84 AXL (0.48) GABRA1GABRB2AXLMEN1KMT2A
SCHEMBL8478533 0.82 PLK4 (0.44) GABRA1GABRB1GABRA3GABRB2AXL
SCHEMBL1516568 0.80 DYRK1A (0.48) AXLJAK2JAK3OPRK1NR4A2
SCHEMBL7971778 0.80 AXL (0.56) AXLMEN1KMT2ANUDT1JAK2
SCHEMBL4828101 0.79 AURKA (0.54) AXLJAK2JAK3NR4A2
SCHEMBL28046056 0.79 BRAF (0.53) AXLJAK2JAK3NR4A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8466170-B2 7-azaindole derivatives MERCK PATENT GMBH (DE) 2013-06-18 US disclosed
US-8466170-B2 7-azaindole derivatives MERCK PATENT GMBH (DE) 2013-06-18 US disclosed
US-20110166175-A1 7-AZAINDOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-07-07 US disclosed
US-20110166175-A1 7-AZAINDOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-07-07 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 (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-20110166175-A1 7-AZAINDOLE DERIVATIVES JAK3, AZI2, MYLK2 GABRA1 3155/4885GABRB1 3145/4885GABRA3 2573/4885

“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.