SCHEMBL3460663

SCHEMBL3460663

Nc1ncc(-c2cccc(CNS(=O)(=O)c3ccc(C(F)(F)F)cc3)c2)nc1C(=O)N[C@H]1CCCNC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TYRO3 Q06418 8/20 0.49
ATR Q13535 3/20 0.46
PIK3CD O00329 1/20 0.45
PIK3CA P42336 1/20 0.45
PIK3CG P48736 1/20 0.45
CYP19A1 P11511 1/20 0.44
CDK2AP1 O14519 1/20 0.43
CHEK1 O14757 1/20 0.43
NTRK1 P04629 3/20 0.42
ACVR1 Q04771 1/20 0.42
ACVR2A P27037 1/20 0.41
TGFBR2 P37173 1/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL3462047 0.92 TYRO3 (0.51) TYRO3ATRCHEK1NTRK1ACVR1
SCHEMBL3460607 0.91 TYRO3 (0.51) TYRO3ATRPIK3CDPIK3CAPIK3CG
SCHEMBL3460315 0.88 TYRO3 (0.48) TYRO3ATRNTRK1ACVR1
SCHEMBL3461922 0.86 ATR (0.48) TYRO3ATRPIK3CDPIK3CAPIK3CG
SCHEMBL3466399 0.86 TYRO3 (0.49) TYRO3ATRCDK2AP1CHEK1ACVR1
SCHEMBL3461850 0.86 TYRO3 (0.49) TYRO3ATRCDK2AP1CHEK1ACVR1
SCHEMBL3460839 0.86 TYRO3 (0.48) TYRO3ATRPIK3CDPIK3CAPIK3CG
SCHEMBL3460409 0.86 TYRO3 (0.48) TYRO3ATRPIK3CDPIK3CAPIK3CG
SCHEMBL3461391 0.85 TYRO3 (0.50) TYRO3ATRACVR1ACVR2ATGFBR2
SCHEMBL3460548 0.85 TYRO3 (0.47) TYRO3ATRPIK3CDPIK3CAPIK3CG

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 556/4885PIK3CD 375/4885

“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.