SCHEMBL1679712

SCHEMBL1679712

NC(=O)c1cccc(-c2cnc(N)c(-c3ccc4c(c3)OCO4)c2)c1

nearest known ligand 0.79

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 13/20 0.79
CHEK1 O14757 4/20 0.69
FYN P06241 4/20 0.61
MKNK1 Q9BUB5 1/20 0.55
MAP4K4 O95819 1/20 0.53
PI4K2A Q9BTU6 1/20 0.48
GABRA1 P14867 1/20 0.48
GABRB2 P47870 1/20 0.48

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
SCHEMBL980269 0.84 GABRA1 (0.63) CHEK2GABRA1GABRB2
SCHEMBL1679446 0.81 PRKD3 (0.68) CHEK2CHEK1FYNMAP4K4GABRA1
SCHEMBL4620367 0.80 FYN (0.76) CHEK2CHEK1FYNMKNK1MAP4K4
SCHEMBL4621282 0.80 FYN (0.70) CHEK2CHEK1FYNMKNK1MAP4K4
SCHEMBL13968138 0.79 FYN (0.69) CHEK2CHEK1FYNMKNK1MAP4K4
SCHEMBL13977197 0.79 CHEK2 (0.66) CHEK2CHEK1FYNMKNK1MAP4K4
SCHEMBL1679739 0.77 FYN (0.81) CHEK2CHEK1FYNMKNK1
SCHEMBL1679160 0.77 FYN (0.63) CHEK2CHEK1FYNMKNK1MAP4K4
SCHEMBL15451325 0.76 TSHR (0.68) CHEK2CHEK1GABRA1GABRB2
SCHEMBL2224294 0.76 FYN (0.72) CHEK2CHEK1FYNMKNK1MAP4K4

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 CHEK2 587/4885CHEK1 805/4885FYN 1665/4885

“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.