SCHEMBL3460894

SCHEMBL3460894

CNC(=O)c1nc(-c2cccc(C(=O)NCC3CCCN3)c2)cnc1N

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 4/20 0.54
PIK3CA P42336 4/20 0.54
PIK3CG P48736 4/20 0.54
PIK3CB P42338 2/20 0.54
CHEK2 O96017 1/20 0.53
MET P08581 1/20 0.53
TYRO3 Q06418 5/20 0.52
ATR Q13535 8/20 0.49
ROCK2 O75116 1/20 0.49
ROCK1 Q13464 1/20 0.49
IKBKB O14920 1/20 0.46

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
SCHEMBL3460061 0.87 TYRO3 (0.51) CHEK2METTYRO3ATRROCK2
SCHEMBL3462291 0.86 LDHA (0.58) PIK3CDPIK3CAPIK3CGPIK3CBTYRO3
SCHEMBL3460080 0.86 TYRO3 (0.60) PIK3CDPIK3CAPIK3CGPIK3CBTYRO3
SCHEMBL3461225 0.85 TYRO3 (0.70) PIK3CDPIK3CAPIK3CGPIK3CBCHEK2
SCHEMBL3460077 0.85 TYRO3 (0.57) PIK3CDPIK3CAPIK3CGPIK3CBTYRO3
SCHEMBL3462690 0.84 TYRO3 (0.71) PIK3CDPIK3CAPIK3CGPIK3CBCHEK2
SCHEMBL3461932 0.82 HPGD (0.56) PIK3CDPIK3CAPIK3CGPIK3CBATR
SCHEMBL3461596 0.80 PIK3CD (0.72) PIK3CDPIK3CAPIK3CGPIK3CBATR
SCHEMBL3460257 0.79 ATR (0.67) PIK3CDPIK3CAPIK3CGPIK3CBTYRO3
SCHEMBL3460413 0.79 ATR (0.72) PIK3CDPIK3CAPIK3CGPIK3CBTYRO3

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 PIK3CD 375/4885PIK3CA 463/4885PIK3CG 477/4885

“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.