SCHEMBL1679545

SCHEMBL1679545

COc1cc(-c2cncc(-c3cccc(C(=O)N4CCNCC4)c3)n2)ccc1O

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FYN P06241 2/20 0.53
TLR9 Q9NR96 1/20 0.51
TLR8 Q9NR97 1/20 0.51
TLR7 Q9NYK1 1/20 0.51
CCNC P24863 4/20 0.49
CDK8 P49336 4/20 0.49
ATR Q13535 1/20 0.47
MKNK1 Q9BUB5 1/20 0.46
MKNK2 Q9HBH9 1/20 0.46
ERN1 O75460 2/20 0.45
ABL1 P00519 1/20 0.45
BCR P11274 1/20 0.45
KCNH2 Q12809 1/20 0.45
TMEM97 Q5BJF2 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
CSF1R P07333 3/20 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
SCHEMBL1679061 0.91 FYN (0.56) FYNERN1ABL1BCRCSF1R
SCHEMBL1679573 0.88 KMT2A (0.59) FYNATRERN1
SCHEMBL12734489 0.81 FYN (0.64) FYNCSF1R
SCHEMBL1679065 0.81 FYN (0.64) FYNERN1CSF1R
SCHEMBL1679707 0.80 FYN (0.63) FYNATRMKNK1MKNK2ERN1
SCHEMBL1679204 0.80 FYN (0.63) FYNCDK8ERN1CSF1R
SCHEMBL1679228 0.76 FYN (0.58) FYNERN1CSF1R
SCHEMBL1679756 0.76 ROCK2 (0.55) FYNTLR9TLR8TLR7ATR
SCHEMBL28839375 0.76 MKNK2 (0.64) CCNCCDK8ATRMKNK1MKNK2
SCHEMBL1679100 0.73 FYN (0.57) FYNERN1CSF1R

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 FYN 1665/4885TLR9 4639/4885TLR8 4502/4885

“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.