SCHEMBL3461583

SCHEMBL3461583

Nc1ncc(-c2cccc(C(=O)NCc3cccnc3)c2)nc1C(=O)N[C@H]1CCNC1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TYRO3 Q06418 6/20 0.53
ATR Q13535 11/20 0.49
SMN1; SMN2 Q16637 1/20 0.46
MAPK1 P28482 1/20 0.45
CHEK2 O96017 1/20 0.44
MET P08581 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
SCHEMBL3460391 0.92 ATR (0.56) TYRO3ATRCHEK2MET
SCHEMBL3462250 0.92 ATR (0.56) TYRO3ATRCHEK2MET
SCHEMBL3460973 0.88 TYRO3 (0.54) TYRO3ATRMAPK1CHEK2MET
SCHEMBL3460360 0.87 TYRO3 (0.53) TYRO3ATRCHEK2MET
SCHEMBL3461440 0.87 ATR (0.55) TYRO3ATR
SCHEMBL3460008 0.87 TYRO3 (0.62) TYRO3ATRCHEK2
SCHEMBL3461825 0.87 TYRO3 (0.53) TYRO3ATRCHEK2MET
SCHEMBL3461001 0.86 TYRO3 (0.54) TYRO3ATRCHEK2MET
SCHEMBL3460197 0.86 ATR (0.56) TYRO3ATRCHEK2MET
SCHEMBL3460441 0.86 TYRO3 (0.54) TYRO3ATRCHEK2MET

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 790/4885ATR 556/4885SMN1; SMN2 4557/4885

“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.