SCHEMBL1679113

SCHEMBL1679113

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

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 7/20 0.68
GRK5 P34947 1/20 0.68
DAPK1 P53355 1/20 0.59
RAD52 P43351 2/20 0.51
KDR P35968 2/20 0.50
MAP4K4 O95819 2/20 0.48
PRKD3 O94806 2/20 0.48
PRKD1 Q15139 1/20 0.48
PRKD2 Q9BZL6 1/20 0.48
CAMK2D Q13557 1/20 0.48
CHEK1 O14757 1/20 0.47
DAPK3 O43293 1/20 0.47
PAK4 O96013 1/20 0.47
ABL1 P00519 1/20 0.47
LCK P06239 1/20 0.47
RET P07949 1/20 0.47
MET P08581 1/20 0.47
PDGFRB P09619 1/20 0.47
PIM1 P11309 1/20 0.47
PDGFRA P16234 1/20 0.47

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
SCHEMBL1679460 0.90 FYN (0.58) FYNGRK5DAPK1CAMK2DCHEK1
SCHEMBL1679431 0.89 FYN (0.67) FYNGRK5DAPK1RAD52KDR
SCHEMBL1679100 0.88 FYN (0.57) FYNGRK5DAPK1MAPK8MAPK9
SCHEMBL1679473 0.86 GRK5 (0.64) FYNGRK5DAPK1RAD52MAP4K4
SCHEMBL1679045 0.86 FYN (0.67) FYNGRK5RAD52KDRMAP4K4
SCHEMBL12064717 0.85 GRK5 (0.54) FYNGRK5DAPK1RAD52KDR
SCHEMBL12056908 0.84 GRK5 (0.53) FYNGRK5DAPK1RAD52KDR
SCHEMBL1679230 0.82 FYN (0.67) FYNGRK5KDRMAP4K4PRKD3
SCHEMBL1679474 0.82 PRKD3 (0.70) FYNGRK5DAPK1PRKD3PRKD1
SCHEMBL1679228 0.81 FYN (0.58) FYNGRK5PRKD1CHEK1CSF1R

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 9 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
EP-2114887-A1 PYRIDINE BENZAMIDES AND PYRAZINE BENZAMIDES USED AS PKD INHIBITORS Cancer Research Technology Limited (GB) 2009-11-11 EP claimed
WO-2008074997-A1 PYRIDINE BENZAMIDES AND PYRAZINE BENZAMIDES USED AS PKD INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2008-06-26 WO 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 1665/4885GRK5 827/4885DAPK1 430/4885

“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.