SCHEMBL1679121

SCHEMBL1679121

NC(=O)c1cccc(-c2cnc(N)c(-c3cccc4ncccc34)c2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 4/20 0.57
TGFBR1 P36897 3/20 0.53
ACVR1 Q04771 3/20 0.53
CHEK2 O96017 9/20 0.52
MKNK1 Q9BUB5 3/20 0.50
MAP4K4 O95819 1/20 0.48
CHEK1 O14757 2/20 0.47
CDK1 P06493 2/20 0.47
CDK2 P24941 2/20 0.47
CDC7 O00311 1/20 0.47
PLK4 O00444 1/20 0.47
AURKA O14965 1/20 0.47
MAPK13 O15264 1/20 0.47
PDPK1 O15530 1/20 0.47
DYRK3 O43781 1/20 0.47
ROCK2 O75116 1/20 0.47
RPS6KA5 O75582 1/20 0.47
PRKD3 O94806 1/20 0.47
PAK4 O96013 1/20 0.47
ABL1 P00519 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
SCHEMBL14189748 0.87 TGFBR1 (0.50) FYNTGFBR1ACVR1CHEK2MKNK1
SCHEMBL1679724 0.81 PRKD3 (0.61) FYNTGFBR1ACVR1CHEK2MKNK1
SCHEMBL947559 0.79 CCNT1 (0.54) FYNCHEK2MKNK1MAP4K4CHEK1
SCHEMBL1679719 0.78 PIM1 (0.46) FYNCHEK2CHEK1CDK1CDK2
SCHEMBL13968138 0.77 FYN (0.69) FYNCHEK2MKNK1MAP4K4CHEK1
SCHEMBL1679225 0.76 FYN (0.78) FYNTGFBR1ACVR1CHEK2MKNK1
SCHEMBL4620367 0.76 FYN (0.76) FYNCHEK2MKNK1MAP4K4CHEK1
SCHEMBL4621282 0.76 FYN (0.70) FYNTGFBR1ACVR1CHEK2MKNK1
SCHEMBL17815694 0.73 MKNK1 (0.63) ACVR1CHEK2MKNK1MKNK2
SCHEMBL2384850 0.73 MET (0.62) FYNCHEK2MKNK1

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 4 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

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 1665/4885TGFBR1 2967/4885ACVR1 3404/4885

“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.