SCHEMBL3462041

SCHEMBL3462041

Nc1ncc(-c2cccc(C(=O)NCc3ccc(Cl)c(Cl)c3)c2)nc1C(=O)N[C@H]1CCCNC1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ATR Q13535 5/20 0.48
TYRO3 Q06418 4/20 0.48
NTRK1 P04629 7/20 0.47
NTRK3 Q16288 2/20 0.47
NTRK2 Q16620 2/20 0.47
ACVR1 Q04771 1/20 0.46
WDR5 P61964 1/20 0.44
ROCK2 O75116 1/20 0.44
PKN2 Q16513 1/20 0.44
ACVR2A P27037 1/20 0.43
TGFBR2 P37173 1/20 0.43

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
SCHEMBL3461825 0.95 TYRO3 (0.53) ATRTYRO3ACVR1WDR5
SCHEMBL3462098 0.93 NTRK1 (0.52) ATRTYRO3NTRK1NTRK3NTRK2
SCHEMBL3460039 0.92 TYRO3 (0.49) ATRTYRO3NTRK1NTRK3NTRK2
SCHEMBL3461400 0.91 NTRK1 (0.47) ATRTYRO3NTRK1NTRK3NTRK2
SCHEMBL3461010 0.91 NTRK1 (0.50) ATRTYRO3NTRK1NTRK3NTRK2
SCHEMBL3460622 0.91 TYRO3 (0.49) ATRTYRO3NTRK1NTRK3NTRK2
SCHEMBL3460282 0.90 ATR (0.50) ATRTYRO3NTRK1ACVR1ROCK2
SCHEMBL3459881 0.90 ATR (0.53) ATRTYRO3NTRK1ACVR1ACVR2A
SCHEMBL3461440 0.90 ATR (0.55) ATRTYRO3ACVR1ROCK2PKN2
SCHEMBL3839250 0.89 NTRK1 (0.54) ATRTYRO3NTRK1NTRK3NTRK2

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 556/4885TYRO3 790/4885NTRK1 504/4885

“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.