SCHEMBL1679567

SCHEMBL1679567

COc1cc(-c2cc(-c3cccc(C(=O)NCCCN(C)C)c3)cnc2N)ccc1O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 14/20 0.66
PRKD3 O94806 2/20 0.63
PRKD1 Q15139 1/20 0.63
PRKD2 Q9BZL6 1/20 0.63
GRK5 P34947 1/20 0.57
CHEK2 O96017 3/20 0.55
CHEK1 O14757 2/20 0.55
DAPK3 O43293 1/20 0.54
MAP4K4 O95819 1/20 0.54
PAK4 O96013 1/20 0.54
ABL1 P00519 1/20 0.54
LCK P06239 1/20 0.54
RET P07949 1/20 0.54
MET P08581 1/20 0.54
PDGFRB P09619 1/20 0.54
PIM1 P11309 1/20 0.54
PDGFRA P16234 1/20 0.54
FLT1 P17948 1/20 0.54
LTK P29376 1/20 0.54
KDR P35968 1/20 0.54

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
SCHEMBL1679474 0.95 PRKD3 (0.70) FYNPRKD3PRKD1PRKD2GRK5
SCHEMBL1679531 0.88 PRKD3 (0.72) FYNPRKD3PRKD1PRKD2GRK5
SCHEMBL1679095 0.85 PRKD3 (0.69) FYNPRKD3PRKD1PRKD2GRK5
SCHEMBL1679726 0.85 PRKD3 (0.68) FYNPRKD3PRKD1PRKD2GRK5
SCHEMBL1679652 0.84 FYN (0.81) FYNPRKD3PRKD1PRKD2ACVR1
SCHEMBL1679754 0.84 PRKD3 (0.69) FYNPRKD3PRKD1PRKD2GRK5
SCHEMBL1679053 0.82 PRKD3 (0.70) FYNPRKD3PRKD1PRKD2GRK5
SCHEMBL1679706 0.82 PRKD3 (0.75) FYNPRKD3PRKD1PRKD2CHEK2
SCHEMBL1679478 0.82 PRKD3 (0.77) FYNPRKD3PRKD1PRKD2CHEK2
SCHEMBL1679148 0.82 PRKD3 (0.72) FYNPRKD3PRKD1PRKD2GRK5

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 1665/4885PRKD3 38/4885PRKD1 33/4885

“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.