SCHEMBL3461963

SCHEMBL3461963

Nc1ncc(-c2cccc(CO)c2)nc1-c1nc([C@@H]2CCCNC2)n[nH]1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ATR Q13535 10/20 0.47
CHEK1 O14757 4/20 0.38
CDK2 P24941 3/20 0.38
CCNA2 P20248 2/20 0.38
CCNA1 P78396 2/20 0.38
IKBKB O14920 2/20 0.36
TYRO3 Q06418 1/20 0.35
ACVRL1 P37023 2/20 0.35
CDK1 P06493 1/20 0.34
MKNK1 Q9BUB5 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34

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
SCHEMBL3461650 1.00 ATR (0.47) ATRCHEK1CDK2CCNA2CCNA1
SCHEMBL3461774 1.00 ATR (0.47) ATRCHEK1CDK2CCNA2CCNA1
SCHEMBL3461833 0.95 ATR (0.48) ATRCDK2TYRO3CDK1MKNK1
SCHEMBL3461296 0.92 ATR (0.55) ATRCHEK1CDK2CCNA2CCNA1
SCHEMBL3461202 0.90 ATR (0.49) ATRCDK2TYRO3ACVRL1CDK1
SCHEMBL3462168 0.84 ATR (0.48) ATRTYRO3
SCHEMBL3460767 0.84 ATR (0.47) ATRIKBKB
SCHEMBL3459958 0.83 ATR (0.45) ATR
SCHEMBL3460543 0.83 MAPK1 (0.43) ATR
SCHEMBL3462829 0.83 MAPK1 (0.44) 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 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 556/4885CHEK1 130/4885CDK2 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.