SCHEMBL3461273

SCHEMBL3461273

Nc1ncc(-c2cccc(C(=O)NCc3ccccc3)c2)nc1C(=O)N1CCOCC1

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ATR Q13535 17/20 0.68
LDHA P00338 1/20 0.50
LDHB P07195 1/20 0.50
MAPK1 P28482 1/20 0.49
JAK2 O60674 1/20 0.48
JAK1 P23458 1/20 0.48
TYK2 P29597 1/20 0.48

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
SCHEMBL14237232 0.91 ATR (0.58) ATRLDHALDHBJAK2
SCHEMBL3459957 0.89 ATR (0.68) ATRLDHALDHBJAK2
SCHEMBL3460415 0.89 ATR (0.68) ATRLDHALDHB
SCHEMBL3462329 0.89 PRKAA2 (0.55) ATRLDHALDHBMAPK1
SCHEMBL3462466 0.89 ATR (0.58) ATRLDHALDHB
SCHEMBL3462270 0.87 ATR (0.56) ATRLDHALDHB
SCHEMBL3461809 0.87 ATR (0.52) ATRLDHALDHB
SCHEMBL3459898 0.86 ATR (0.55) ATRLDHALDHBMAPK1JAK2
SCHEMBL3459893 0.86 ATR (0.55) ATRLDHALDHBMAPK1JAK2
SCHEMBL3461961 0.86 ATR (0.57) ATRLDHALDHB

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 ATR 556/4885LDHA 2158/4885LDHB 2891/4885

“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.