SCHEMBL1679431

SCHEMBL1679431

COc1cc(-c2cncc(-c3cccc(C(=O)NCCN(C)C)c3)n2)cc(OC)c1OC

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FYN P06241 5/20 0.67
RAD52 P43351 2/20 0.57
GRK5 P34947 1/20 0.55
PTK2 Q05397 4/20 0.53
BRAF P15056 2/20 0.51
KDR P35968 1/20 0.51
MAP4K4 O95819 1/20 0.49
CAMK2D Q13557 2/20 0.48
DAPK1 P53355 1/20 0.47
PRKD3 O94806 1/20 0.47
PRKD1 Q15139 1/20 0.47
PRKD2 Q9BZL6 1/20 0.47

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
SCHEMBL1679113 0.89 FYN (0.68) FYNRAD52GRK5PTK2KDR
SCHEMBL1679045 0.87 FYN (0.67) FYNRAD52GRK5PTK2KDR
SCHEMBL4194406 0.83 FYN (0.61) FYNRAD52GRK5PTK2BRAF
SCHEMBL1679471 0.81 FYN (0.87) FYNRAD52KDR
SCHEMBL1679230 0.81 FYN (0.67) FYNGRK5KDRMAP4K4CAMK2D
SCHEMBL1679652 0.80 FYN (0.81) FYNRAD52PRKD3PRKD1PRKD2
SCHEMBL18613235 0.80 FYN (1.00) FYNRAD52PRKD3PRKD1PRKD2
SCHEMBL1679460 0.80 FYN (0.58) FYNGRK5CAMK2DDAPK1
SCHEMBL1679473 0.78 GRK5 (0.64) FYNRAD52GRK5MAP4K4CAMK2D
SCHEMBL1678982 0.78 PRKD3 (0.53) FYNRAD52GRK5MAP4K4CAMK2D

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 9 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
EP-2114887-A1 PYRIDINE BENZAMIDES AND PYRAZINE BENZAMIDES USED AS PKD INHIBITORS Cancer Research Technology Limited (GB) 2009-11-11 EP claimed
WO-2008074997-A1 PYRIDINE BENZAMIDES AND PYRAZINE BENZAMIDES USED AS PKD INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2008-06-26 WO 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
EP-2114887-A1 PYRIDINE BENZAMIDES AND PYRAZINE BENZAMIDES USED AS PKD INHIBITORS Cancer Research Technology Limited (GB) 2009-11-11 EP disclosed
WO-2008074997-A1 PYRIDINE BENZAMIDES AND PYRAZINE BENZAMIDES USED AS PKD INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2008-06-26 WO 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 1665/4885RAD52 4099/4885GRK5 827/4885

“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.