SCHEMBL1678649

SCHEMBL1678649

COc1cccc(-c2cc(Br)cnc2CN)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAT2 Q10469 1/20 0.49
TDO2 P48775 1/20 0.47
ADORA2A P29274 1/20 0.46
ADORA1 P30542 1/20 0.46
NPSR1 Q6W5P4 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
FYN P06241 2/20 0.44
DYRK1A Q13627 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
PRMT5 O14744 1/20 0.43
WDR77 Q9BQA1 1/20 0.43
CLK1 P49759 3/20 0.43
MAOB P27338 2/20 0.43
CDK5 Q00535 2/20 0.43
CDK5R1 Q15078 2/20 0.43
DGAT2 Q96PD7 2/20 0.42
ALDH1A1 P00352 2/20 0.41

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
SCHEMBL29858064 0.82 FYN (0.64) TDO2ADORA2AADORA1FYNDYRK1A
SCHEMBL1679504 0.82 FYN (0.64) TDO2ADORA2AADORA1FYNDYRK1A
SCHEMBL12806925 0.77 CYP2C19 (0.49) TDO2ADORA2AADORA1NPSR1SMN1; SMN2
SCHEMBL2713495 0.73 ADORA2A (0.49) TDO2ADORA2AADORA1HTTFYN
SCHEMBL2409696 0.71 DHODH (0.49) TDO2ADORA2AADORA1NPSR1SMN1; SMN2
SCHEMBL27680371 0.71 KIT (0.67) DYRK1ACLK4CLK1CDK5CDK5R1
SCHEMBL2406613 0.71 KDM1A (0.57) FYNDYRK1ACLK4CLK1MAOB
SCHEMBL1119413 0.69 CYP11B1 (0.53) NPSR1SMN1; SMN2DYRK1ACLK4ALDH1A1
SCHEMBL8279410 0.69 MGAT2 (0.57) MGAT2TDO2ADORA2AADORA1LMNA
SCHEMBL4054555 0.68 AURKA (0.67) NPSR1SMN1; SMN2LMNAHTTRXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110098325-A1 PYRIDINE BENZAMIDES AND PYRAZINE BENZAMIDES USED AS PKD INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2011-04-28 US disclosed
EP-2114887-A1 PYRIDINE BENZAMIDES AND PYRAZINE BENZAMIDES USED AS PKD INHIBITORS Cancer Research Technology Limited (GB) 2009-11-11 EP disclosed
WO-2008074997-A1 PYRIDINE BENZAMIDES AND PYRAZINE BENZAMIDES USED AS PKD INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2008-06-26 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-20110098325-A1 PYRIDINE BENZAMIDES AND PYRAZINE BENZAMIDES USED AS PKD INHIBITORS PKD2, PKD1, BAZ2B MGAT2 3986/4885TDO2 3143/4885ADORA2A 2477/4885

“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.