SCHEMBL3461863

SCHEMBL3461863

CC(C)(C)OC(=O)NC1CCN(C(=O)c2nc(-c3cccc(C(=O)NCc4ccccc4)c3)cnc2N)CC1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ATR Q13535 18/20 0.53
CKS1B P61024 1/20 0.45
SKP1 P63208 1/20 0.45
SKP2 Q13309 1/20 0.45
CTDSP1 Q9GZU7 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL3461961 0.89 ATR (0.57) ATRCTDSP1TDP1
SCHEMBL3461563 0.89 ATR (0.58) ATRCTDSP1TDP1
SCHEMBL3460465 0.88 ATR (0.53) ATR
SCHEMBL3459975 0.86 USP30 (0.55) ATR
SCHEMBL3462466 0.85 ATR (0.58) ATR
SCHEMBL3461332 0.84 ATR (0.51) ATR
SCHEMBL3462270 0.84 ATR (0.56) ATR
SCHEMBL3460415 0.83 ATR (0.68) ATR
SCHEMBL14237232 0.82 ATR (0.58) ATR
SCHEMBL3462155 0.82 KDM4E (0.58) ATR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060211709-A1 Protein kinase modulators and methods of use EXELIXIS, INC. 2006-09-21 US claimed
US-7704995-B2 Protein kinase modulators and methods of use EXELIXIS, INC. (US) 2010-04-27 US disclosed
US-20060211709-A1 Protein kinase modulators and methods of use EXELIXIS, INC. 2006-09-21 US 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 556/4885CKS1B 192/4885SKP1 606/4885

“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.