SCHEMBL3460422

SCHEMBL3460422

COc1cccc(CNC(=O)c2cccc(-c3cnc(N)c(C(=O)N[C@H]4CCCNC4)n3)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TYRO3 Q06418 5/20 0.53
ROCK2 O75116 5/20 0.52
PKN2 Q16513 1/20 0.52
ATR Q13535 4/20 0.48
PRKDC P78527 1/20 0.48
AURKA O14965 1/20 0.48
ROCK1 Q13464 2/20 0.46
WDR5 P61964 1/20 0.46
MMP13 P45452 1/20 0.46
MAPK14 Q16539 1/20 0.46
CHRM3 P20309 1/20 0.46
KLKB1 P03952 1/20 0.45
KLK1 P06870 1/20 0.45

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
SCHEMBL3461490 0.95 TYRO3 (0.50) TYRO3ROCK2PKN2ATRPRKDC
SCHEMBL14237240 0.93 TYRO3 (0.50) TYRO3ROCK2PKN2ATRPRKDC
SCHEMBL3462011 0.93 TYRO3 (0.50) TYRO3ROCK2PKN2ATRPRKDC
SCHEMBL3459910 0.93 ROCK2 (0.50) TYRO3ROCK2PKN2ATRPRKDC
SCHEMBL3462731 0.91 ROCK2 (0.59) TYRO3ROCK2PKN2ATRROCK1
SCHEMBL3461440 0.90 ATR (0.55) TYRO3ROCK2PKN2ATR
SCHEMBL3462749 0.89 ATR (0.53) TYRO3ROCK2PKN2ATR
SCHEMBL3459747 0.89 TYRO3 (0.49) TYRO3ROCK2PKN2ATRPRKDC
SCHEMBL3460835 0.89 TYRO3 (0.65) TYRO3ATRPRKDC
SCHEMBL3462130 0.89 TYRO3 (0.49) TYRO3ROCK2PKN2ATRROCK1

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 TYRO3 790/4885ROCK2 739/4885PKN2 162/4885

“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.