SCHEMBL3461852

SCHEMBL3461852

CNC(=O)c1nc(-c2cccc(OCCN3CCCC3)c2)cnc1N

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 1/20 0.59
CCNE1 P24864 1/20 0.59
CDK2 P24941 1/20 0.59
GSK3B P49841 1/20 0.59
ATR Q13535 8/20 0.56
PIK3CD O00329 6/20 0.55
PIK3CA P42336 6/20 0.55
PIK3CG P48736 6/20 0.55
MAP4K4 O95819 1/20 0.54
PRKDC P78527 1/20 0.52
PIK3CB P42338 4/20 0.52
LTA4H P09960 1/20 0.49
BACE1 P56817 1/20 0.48
AVPR1B P47901 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
SCHEMBL3461667 0.99 CCNE2 (0.60) CCNE2CCNE1CDK2GSK3BATR
SCHEMBL3461069 0.94 PIK3CD (0.54) CCNE2CCNE1CDK2GSK3BATR
SCHEMBL3462137 0.93 PIK3CD (0.53) CCNE2CCNE1CDK2GSK3BATR
SCHEMBL3462055 0.93 PIK3CD (0.53) CCNE2CCNE1CDK2GSK3BATR
SCHEMBL3822499 0.92 PIK3CD (0.52) CCNE2CCNE1CDK2GSK3BATR
SCHEMBL3460868 0.91 PIK3CD (0.52) CCNE2CCNE1CDK2GSK3BATR
SCHEMBL3460752 0.89 ATR (0.54) CCNE2CCNE1CDK2GSK3BATR
SCHEMBL3461832 0.89 PIK3CD (0.49) CCNE2CCNE1CDK2GSK3BATR
SCHEMBL3462092 0.88 PIK3CD (0.51) CCNE2CCNE1CDK2GSK3BATR
SCHEMBL3461192 0.88 ATR (0.51) CCNE2CCNE1CDK2GSK3BATR

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 7 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
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 CCNE2 2303/4885CCNE1 2063/4885CDK2 101/4885

“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.