SCHEMBL1679228

SCHEMBL1679228

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

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FYN P06241 5/20 0.58
CSF1R P07333 3/20 0.55
ERN1 O75460 2/20 0.54
XDH P47989 4/20 0.49
GRK5 P34947 1/20 0.46
PRKD1 Q15139 1/20 0.44
CHEK1 O14757 1/20 0.44
ROCK2 O75116 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP3A5 P20815 1/20 0.43
BRAF P15056 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
SCHEMBL1679204 0.86 FYN (0.63) FYNCSF1RERN1CHEK1BRAF
SCHEMBL1679065 0.85 FYN (0.64) FYNCSF1RERN1CHEK1
SCHEMBL12734489 0.85 FYN (0.64) FYNCSF1RCHEK1BRAF
SCHEMBL1679707 0.84 FYN (0.63) FYNCSF1RERN1CHEK1BRAF
SCHEMBL1679100 0.83 FYN (0.57) FYNCSF1RERN1GRK5BRAF
SCHEMBL1679113 0.81 FYN (0.68) FYNCSF1RGRK5PRKD1CHEK1
SCHEMBL1679061 0.81 FYN (0.56) FYNCSF1RERN1
SCHEMBL1679460 0.80 FYN (0.58) FYNCSF1RGRK5CHEK1
SCHEMBL1679756 0.80 ROCK2 (0.55) FYNCSF1RERN1ROCK2
SCHEMBL1679545 0.76 FYN (0.53) FYNCSF1RERN1

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 7 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
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
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 1665/4885CSF1R 2156/4885ERN1 1840/4885

“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.