SCHEMBL3462047

SCHEMBL3462047

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

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TYRO3 Q06418 10/20 0.51
ATR Q13535 3/20 0.45
CHEK1 O14757 1/20 0.41
ACVR1 Q04771 1/20 0.41
AXL P30530 1/20 0.40
MERTK Q12866 1/20 0.40
ACVR2A P27037 1/20 0.40
TGFBR2 P37173 1/20 0.40
NTRK1 P04629 2/20 0.40
KIFC1 Q9BW19 1/20 0.40

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
SCHEMBL3460663 0.92 TYRO3 (0.49) TYRO3ATRCHEK1ACVR1ACVR2A
SCHEMBL3461892 0.90 TYRO3 (0.51) TYRO3ATRCHEK1NTRK1KIFC1
SCHEMBL3460607 0.89 TYRO3 (0.51) TYRO3ATRACVR1ACVR2ATGFBR2
SCHEMBL3460246 0.89 TYRO3 (0.48) TYRO3ATRACVR1AXLMERTK
SCHEMBL3461080 0.88 TYRO3 (0.50) TYRO3ATRCHEK1ACVR1AXL
SCHEMBL3460381 0.88 TYRO3 (0.49) TYRO3ATRCHEK1
SCHEMBL3462788 0.86 TYRO3 (0.52) TYRO3ATRACVR1NTRK1KIFC1
SCHEMBL3460315 0.85 TYRO3 (0.48) TYRO3ATRACVR1NTRK1
SCHEMBL3466399 0.85 TYRO3 (0.49) TYRO3ATRCHEK1ACVR1AXL
SCHEMBL3461850 0.85 TYRO3 (0.49) TYRO3ATRCHEK1ACVR1AXL

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 7 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
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 556/4885CHEK1 130/4885

“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.