SCHEMBL1679724

SCHEMBL1679724

CN(C)CCNC(=O)c1cccc(-c2cnc(N)c(-c3cccc4ncccc34)c2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKD3 O94806 1/20 0.61
PRKD1 Q15139 1/20 0.61
PRKD2 Q9BZL6 1/20 0.61
FYN P06241 6/20 0.56
MAP4K4 O95819 1/20 0.51
GRK5 P34947 1/20 0.48
TP53 P04637 1/20 0.47
PDE4B Q07343 1/20 0.47
MMP1 P03956 1/20 0.45
MMP9 P14780 1/20 0.45
CAMK2D Q13557 2/20 0.45
TGFBR1 P36897 1/20 0.44
ACVR1 Q04771 1/20 0.44
CHEK2 O96017 1/20 0.44
CDK1 P06493 1/20 0.43
CDK2 P24941 1/20 0.43
MKNK1 Q9BUB5 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
RAD52 P43351 1/20 0.43
IGF1R P08069 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
SCHEMBL1679768 0.88 PRKD3 (0.67) PRKD3PRKD1PRKD2FYNMAP4K4
SCHEMBL1679470 0.86 PRKD3 (0.65) PRKD3PRKD1PRKD2FYNMAP4K4
SCHEMBL1679776 0.85 PRKD3 (0.63) PRKD3PRKD1PRKD2FYNMAP4K4
SCHEMBL14189748 0.85 TGFBR1 (0.50) FYNMAP4K4GRK5PDE4BMMP1
SCHEMBL1679176 0.84 PRKD3 (0.71) PRKD3PRKD1PRKD2FYNMAP4K4
SCHEMBL1679192 0.83 PRKD3 (0.70) PRKD3PRKD1PRKD2FYNMAP4K4
SCHEMBL2387166 0.83 PRKD3 (0.60) PRKD3PRKD1PRKD2FYNMAP4K4
SCHEMBL1679194 0.82 PRKD3 (0.64) PRKD3PRKD1PRKD2FYNMAP4K4
SCHEMBL14189985 0.82 PRKD3 (0.74) PRKD3PRKD1PRKD2FYNMAP4K4
SCHEMBL1679743 0.82 PRKD3 (0.74) PRKD3PRKD1PRKD2FYNMAP4K4

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 PRKD3 38/4885PRKD1 33/4885PRKD2 22/4885

“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.