SCHEMBL1679748

SCHEMBL1679748

CN1CCN(C(=O)c2cccc(-c3cnc(N)c(-c4cccc5c4oc4ccccc45)n3)c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ATR Q13535 12/20 0.56
FYN P06241 1/20 0.51
ADORA2A P29274 1/20 0.50
KCNH2 Q12809 2/20 0.46
KDM4E B2RXH2 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PIK3CD O00329 1/20 0.44
PIK3CA P42336 1/20 0.44
MTOR P42345 1/20 0.44
TNKS O95271 1/20 0.44
PARP1 P09874 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
SCHEMBL1679454 0.77 MAP4K4 (0.50) ATRFYN
SCHEMBL4439513 0.76 ATR (0.81) ATR
SCHEMBL2925753 0.75 MKNK1 (0.64) ATRKCNH2TNKS
SCHEMBL3462713 0.73 ATR (0.79) ATRFYNPIK3CDPIK3CA
SCHEMBL2931317 0.72 MKNK1 (0.52) ATRADORA2AKCNH2KDM4ETNKS
SCHEMBL2384703 0.72 FYN (0.60) ATRFYNADORA2AKCNH2KDM4E
SCHEMBL13137844 0.72 ATR (0.81) ATRKCNH2
SCHEMBL2508896 0.72 ATR (1.00) ATR
SCHEMBL1678990 0.71 FYN (0.69) ATRFYNADORA2AKCNH2KDM4E
SCHEMBL2934913 0.69 ATR (0.67) ATRKCNH2

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-20110098325-A1 PYRIDINE BENZAMIDES AND PYRAZINE BENZAMIDES USED AS PKD INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2011-04-28 US disclosed
US-20110098325-A1 PYRIDINE BENZAMIDES AND PYRAZINE BENZAMIDES USED AS PKD INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2011-04-28 US disclosed
US-20110098325-A1 PYRIDINE BENZAMIDES AND PYRAZINE BENZAMIDES USED AS PKD INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2011-04-28 US 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 ATR 2516/4885FYN 1665/4885ADORA2A 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.