SCHEMBL1679756

SCHEMBL1679756

COc1cc(-c2cncc(-c3cccc(C(=O)NC4CCN(C)CC4)c3)n2)ccc1O

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 5/20 0.55
ROCK1 Q13464 2/20 0.55
ATR Q13535 1/20 0.54
FYN P06241 3/20 0.50
ERN1 O75460 1/20 0.48
GSK3B P49841 1/20 0.47
DYRK1A Q13627 1/20 0.47
MELK Q14680 1/20 0.46
CSF1R P07333 3/20 0.46
AURKA O14965 1/20 0.46
AURKB Q96GD4 1/20 0.46
PTK2 Q05397 1/20 0.45
IGF1R P08069 1/20 0.45
TLR9 Q9NR96 1/20 0.45
TLR8 Q9NR97 1/20 0.45
TLR7 Q9NYK1 1/20 0.45
LRRK2 Q5S007 1/20 0.45

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
SCHEMBL1679065 0.80 FYN (0.64) FYNERN1CSF1R
SCHEMBL16972143 0.80 PTPN7 (0.56) ROCK2ROCK1AURKAAURKBLRRK2
SCHEMBL16222290 0.80 ERN1 (0.57) ROCK2ROCK1ATRFYNERN1
SCHEMBL1679228 0.80 FYN (0.58) ROCK2FYNERN1CSF1R
SCHEMBL1679204 0.79 FYN (0.63) FYNERN1CSF1R
SCHEMBL1679100 0.79 FYN (0.57) FYNERN1CSF1RPTK2
SCHEMBL12734489 0.78 FYN (0.64) FYNCSF1R
SCHEMBL1679061 0.78 FYN (0.56) FYNERN1CSF1R
SCHEMBL16420768 0.77 ATR (0.70) ROCK2ATRGSK3BDYRK1A
SCHEMBL1679707 0.77 FYN (0.63) ATRFYNERN1CSF1R

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-20110098325-A1 PYRIDINE BENZAMIDES AND PYRAZINE BENZAMIDES USED AS PKD INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2011-04-28 US claimed
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 ROCK2 569/4885ROCK1 1140/4885ATR 2516/4885

“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.