SCHEMBL1679754

SCHEMBL1679754

COc1ccc(-c2cc(-c3cccc(C(=O)NCCN(C)C)c3)cnc2N)cc1F

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRKD3 O94806 1/20 0.69
PRKD1 Q15139 1/20 0.69
PRKD2 Q9BZL6 1/20 0.69
FYN P06241 11/20 0.62
RAD52 P43351 1/20 0.50
HCRTR2 O43614 1/20 0.50
GRK5 P34947 1/20 0.49
MAP4K4 O95819 1/20 0.48
KIT P10721 1/20 0.47
CHEK1 O14757 1/20 0.47
CHEK2 O96017 1/20 0.47
IGF1R P08069 1/20 0.46
KDR P35968 1/20 0.46

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
SCHEMBL1679095 0.93 PRKD3 (0.69) PRKD3PRKD1PRKD2FYNRAD52
SCHEMBL1679531 0.92 PRKD3 (0.72) PRKD3PRKD1PRKD2FYNRAD52
SCHEMBL1679698 0.90 PRKD3 (0.72) PRKD3PRKD1PRKD2FYNRAD52
SCHEMBL1679474 0.89 PRKD3 (0.70) PRKD3PRKD1PRKD2FYNGRK5
SCHEMBL1679053 0.89 PRKD3 (0.70) PRKD3PRKD1PRKD2FYNRAD52
SCHEMBL1679747 0.89 PRKD3 (0.70) PRKD3PRKD1PRKD2FYNRAD52
SCHEMBL1679463 0.88 PRKD3 (0.69) PRKD3PRKD1PRKD2FYNRAD52
SCHEMBL1679497 0.88 PRKD3 (0.69) PRKD3PRKD1PRKD2FYNRAD52
SCHEMBL1679726 0.87 PRKD3 (0.68) PRKD3PRKD1PRKD2FYNRAD52
SCHEMBL1679172 0.87 PRKD3 (0.63) PRKD3PRKD1PRKD2FYNRAD52

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.