SCHEMBL1679733

SCHEMBL1679733

Nc1nccc(-c2nc(-c3cccc(C(=O)NCc4ccccc4)c3)cnc2N)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.54
LDHB P07195 1/20 0.54
CFD P00746 1/20 0.51
MAPK1 P28482 6/20 0.51
ROCK1 Q13464 3/20 0.51
JAK2 O60674 1/20 0.51
MAP4K4 O95819 1/20 0.51
CHEK2 O96017 1/20 0.51
PRKCG P05129 1/20 0.51
CDK1 P06493 1/20 0.51
FES P07332 1/20 0.51
RET P07949 1/20 0.51
ROS1 P08922 1/20 0.51
FER P16591 1/20 0.51
FLT1 P17948 1/20 0.51
AXL P30530 1/20 0.51
FLT4 P35916 1/20 0.51
KDR P35968 1/20 0.51
FLT3 P36888 1/20 0.51
MAPK9 P45984 1/20 0.51

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
SCHEMBL3460691 0.90 LDHA (0.52) LDHALDHBCFDMAPK1ROCK1
SCHEMBL1679464 0.89 LDHA (0.51) LDHALDHBCFDMAPK1ROCK1
SCHEMBL1679139 0.89 LDHA (0.51) LDHALDHBCFDMAPK1ROCK1
SCHEMBL3459712 0.81 LDHA (0.63) LDHALDHBCFDROCK1JAK2
SCHEMBL3461827 0.81 LDHA (0.59) LDHALDHBCFDMAPK1ROCK1
SCHEMBL3461625 0.81 ATR (0.62) LDHALDHBCFDROCK1JAK2
SCHEMBL3463003 0.80 LDHA (0.58) LDHALDHBCFDMAPK1ROCK1
SCHEMBL3462154 0.79 LDHA (0.51) LDHALDHBCFDMAPK1ROCK1
SCHEMBL3461645 0.79 LDHA (0.51) LDHALDHBCFDMAPK1ROCK1
SCHEMBL3461305 0.79 ATR (0.58) LDHALDHBCFDROCK1JAK2

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
EP-1501514-B1 PROTEIN KINASE MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2012-12-19 EP claimed
US-20060211709-A1 Protein kinase modulators and methods of use EXELIXIS, INC. 2006-09-21 US claimed
EP-1501514-B1 PROTEIN KINASE MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2012-12-19 EP 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
US-20110098325-A1 PYRIDINE BENZAMIDES AND PYRAZINE BENZAMIDES USED AS PKD INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2011-04-28 US disclosed
US-7704995-B2 Protein kinase modulators and methods of use EXELIXIS, INC. (US) 2010-04-27 US disclosed
WO-2008074997-A1 PYRIDINE BENZAMIDES AND PYRAZINE BENZAMIDES USED AS PKD INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2008-06-26 WO disclosed
US-20060211709-A1 Protein kinase modulators and methods of use EXELIXIS, INC. 2006-09-21 US 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 (2 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-20060211709-A1 Protein kinase modulators and methods of use GRK2, MAP4K2, MAPKAPK2 LDHA 2158/4885LDHB 2891/4885CFD 4879/4885
US-20110098325-A1 PYRIDINE BENZAMIDES AND PYRAZINE BENZAMIDES USED AS PKD INHIBITORS PKD2, PKD1, BAZ2B LDHA 1724/4885LDHB 1434/4885CFD 2571/4885

“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.