SCHEMBL3462065

SCHEMBL3462065

CNC(=O)c1nc(-c2cccc(C(=O)NCc3cc(OC)cc(OC)c3)c2)cnc1N

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 6/20 0.55
PIK3CA P42336 6/20 0.55
PIK3CG P48736 6/20 0.55
ATR Q13535 9/20 0.55
PRKDC P78527 2/20 0.55
PIK3CB P42338 3/20 0.54
NPC1 O15118 1/20 0.51
LMNA P02545 1/20 0.51
TP53 P04637 1/20 0.51
MAPT P10636 1/20 0.51
HTT P42858 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
AURKA O14965 1/20 0.50
ROCK2 O75116 1/20 0.49
MMP13 P45452 1/20 0.48
TYRO3 Q06418 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
SCHEMBL3461445 0.94 AURKA (0.59) PIK3CDPIK3CAPIK3CGATRPRKDC
SCHEMBL3460347 0.93 PIK3CD (0.55) PIK3CDPIK3CAPIK3CGATRPRKDC
SCHEMBL3460503 0.91 PIK3CD (0.53) PIK3CDPIK3CAPIK3CGATRPRKDC
SCHEMBL3460886 0.89 ATR (0.54) PIK3CDPIK3CAPIK3CGATRPRKDC
SCHEMBL3462892 0.89 ATR (0.54) PIK3CDPIK3CAPIK3CGATRPRKDC
SCHEMBL3461009 0.87 PIK3CD (0.58) PIK3CDPIK3CAPIK3CGATRPRKDC
SCHEMBL3459849 0.87 PIK3CD (0.60) PIK3CDPIK3CAPIK3CGATRPRKDC
SCHEMBL3460576 0.87 ATR (0.57) PIK3CDPIK3CAPIK3CGATRPRKDC
SCHEMBL3461480 0.87 PIK3CD (0.57) PIK3CDPIK3CAPIK3CGATRPIK3CB
SCHEMBL3461793 0.87 PIK3CD (0.59) PIK3CDPIK3CAPIK3CGATRPIK3CB

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-7704995-B2 Protein kinase modulators and methods of use EXELIXIS, INC. (US) 2010-04-27 US 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.