SCHEMBL1679783

SCHEMBL1679783

CCN(CC)CCNC(=O)c1cccc(-c2cnc(N)c(-c3cccc(OC)c3)n2)c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.51
RAD52 P43351 4/20 0.51
MEN1 O00255 3/20 0.51
TP53 P04637 1/20 0.51
POLB P06746 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
ATR Q13535 2/20 0.50
PRKDC P78527 1/20 0.50
CAMK2D Q13557 3/20 0.49
FYN P06241 2/20 0.49
UBE2N P61088 1/20 0.49
PRKD3 O94806 1/20 0.49
PRKD1 Q15139 1/20 0.49
PRKD2 Q9BZL6 1/20 0.49
NAMPT P43490 1/20 0.48
ADORA2A P29274 1/20 0.45
ADORA1 P30542 1/20 0.45
MAP4K4 O95819 1/20 0.45

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
SCHEMBL1679170 0.91 FYN (0.58) RAD52ATRPRKDCCAMK2DFYN
SCHEMBL1679030 0.85 PRKD3 (0.65) RAD52ATRPRKDCCAMK2DFYN
SCHEMBL1679485 0.85 PRKD3 (0.65) KMT2ARAD52MEN1TP53POLB
SCHEMBL1679717 0.80 MAP4K4 (0.53) RAD52ATRCAMK2DFYNPRKD3
SCHEMBL1678982 0.79 PRKD3 (0.53) RAD52CAMK2DFYNPRKD3PRKD1
SCHEMBL1679473 0.79 GRK5 (0.64) RAD52CAMK2DFYNPRKD3PRKD1
SCHEMBL1679741 0.78 PRKD3 (0.60) ATRCAMK2DFYNPRKD3PRKD1
SCHEMBL1679695 0.77 FYN (0.62) RAD52ATRCAMK2DFYNPRKD3
SCHEMBL1679706 0.75 PRKD3 (0.75) RAD52FYNPRKD3PRKD1PRKD2
SCHEMBL1679460 0.73 FYN (0.58) CAMK2DFYN

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 KMT2A 159/4885RAD52 4099/4885MEN1 2764/4885

“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.