SCHEMBL3460832

SCHEMBL3460832

Nc1ncc(-c2cccc(C(=O)NCc3cc(Cl)ccc3Cl)c2)nc1-c1nc([C@H]2CCCNC2)n[nH]1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 2/20 0.40
MET P08581 2/20 0.40
MAPK1 P28482 4/20 0.37
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 1/20 0.37
TYRO3 Q06418 1/20 0.36
ATR Q13535 4/20 0.36
NTRK1 P04629 2/20 0.36
DDR1 Q08345 1/20 0.36
LDHA P00338 1/20 0.35
LDHB P07195 1/20 0.35

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
SCHEMBL3462119 0.94 MET (0.38) CHEK2METMAPK1ROCK2ROCK1
SCHEMBL3461318 0.93 MAPK1 (0.43) CHEK2METMAPK1ROCK2TYRO3
SCHEMBL3460492 0.92 NTRK1 (0.40) CHEK2METMAPK1ROCK2ROCK1
SCHEMBL3460962 0.92 NTRK1 (0.40) CHEK2METMAPK1ROCK2ROCK1
SCHEMBL3822987 0.91 CHEK2 (0.42) CHEK2METMAPK1ROCK2ROCK1
SCHEMBL3461957 0.90 WDR5 (0.42) CHEK2METMAPK1ATRNTRK1
SCHEMBL3460820 0.88 MET (0.42) CHEK2METMAPK1ROCK2ROCK1
SCHEMBL3460543 0.87 MAPK1 (0.43) CHEK2METMAPK1ATR
SCHEMBL3461186 0.87 NTRK1 (0.43) CHEK2METMAPK1TYRO3ATR
SCHEMBL3461568 0.86 NTRK1 (0.40) CHEK2METMAPK1TYRO3ATR

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 8 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-7704995-B2 Protein kinase modulators and methods of use EXELIXIS, INC. (US) 2010-04-27 US disclosed
EP-1501514-A4 PROTEIN KINASE MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2009-08-26 EP disclosed
US-20060211709-A1 Protein kinase modulators and methods of use EXELIXIS, INC. 2006-09-21 US disclosed
EP-1501514-A2 PROTEIN KINASE MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2005-02-02 EP disclosed
WO-2003093297-A2 PROTEIN KINASE MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2003-11-13 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-20060211709-A1 Protein kinase modulators and methods of use GRK2, MAP4K2, MAPKAPK2 CHEK2 61/4885MET 1293/4885MAPK1 161/4885

“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.