SCHEMBL1679170

SCHEMBL1679170

COc1cccc(-c2nc(-c3cccc(C(=O)NCCN(C)C)c3)cnc2N)c1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FYN P06241 5/20 0.58
PRKD3 O94806 1/20 0.56
PRKD1 Q15139 1/20 0.56
PRKD2 Q9BZL6 1/20 0.56
MAP4K4 O95819 1/20 0.55
RAD52 P43351 4/20 0.54
ATR Q13535 3/20 0.52
PRKDC P78527 1/20 0.52
JAK2 O60674 1/20 0.51
PDE4B Q07343 1/20 0.49
NAMPT P43490 1/20 0.49
GRK5 P34947 1/20 0.48
CAMK2D Q13557 2/20 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
SCHEMBL1679030 0.94 PRKD3 (0.65) FYNPRKD3PRKD1PRKD2MAP4K4
SCHEMBL1679783 0.91 KMT2A (0.51) FYNPRKD3PRKD1PRKD2MAP4K4
SCHEMBL1679717 0.88 MAP4K4 (0.53) FYNPRKD3PRKD1PRKD2MAP4K4
SCHEMBL1679473 0.88 GRK5 (0.64) FYNPRKD3PRKD1PRKD2MAP4K4
SCHEMBL1678982 0.88 PRKD3 (0.53) FYNPRKD3PRKD1PRKD2MAP4K4
SCHEMBL1679741 0.86 PRKD3 (0.60) FYNPRKD3PRKD1PRKD2MAP4K4
SCHEMBL1679695 0.85 FYN (0.62) FYNPRKD3PRKD1PRKD2MAP4K4
SCHEMBL1679706 0.84 PRKD3 (0.75) FYNPRKD3PRKD1PRKD2MAP4K4
SCHEMBL1679588 0.80 PRKD3 (0.72) FYNPRKD3PRKD1PRKD2MAP4K4
SCHEMBL16495632 0.80 RAD52 (0.56) FYNMAP4K4RAD52JAK2GRK5

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.