SCHEMBL3462383

SCHEMBL3462383

CN(C)c1ccc(C(=O)NCc2cccc(-c3cnc(N)c(C(=O)N[C@H]4CCCNC4)n3)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TYRO3 Q06418 8/20 0.48
ACVR1 Q04771 2/20 0.48
MAPK1 P28482 1/20 0.47
ROCK2 O75116 1/20 0.45
PKN2 Q16513 1/20 0.45
ACVR2A P27037 1/20 0.44
TGFBR2 P37173 1/20 0.44
CDK2AP1 O14519 1/20 0.44
CHEK1 O14757 1/20 0.44
ATR Q13535 5/20 0.43
AXL P30530 1/20 0.42
MERTK Q12866 1/20 0.42

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
SCHEMBL3460532 0.93 ACVR1 (0.51) TYRO3ACVR1ROCK2PKN2ACVR2A
SCHEMBL3460676 0.91 ATR (0.50) TYRO3ACVR1ROCK2PKN2ACVR2A
SCHEMBL3460471 0.91 ATR (0.48) TYRO3ACVR1ROCK2PKN2ACVR2A
SCHEMBL3462144 0.90 TYRO3 (0.48) TYRO3ACVR1ROCK2PKN2ACVR2A
SCHEMBL3461431 0.90 TYRO3 (0.48) TYRO3ACVR1ROCK2PKN2ACVR2A
SCHEMBL3462278 0.90 TYRO3 (0.48) TYRO3ACVR1MAPK1ROCK2PKN2
SCHEMBL3459910 0.90 ROCK2 (0.50) TYRO3ACVR1ROCK2PKN2ACVR2A
SCHEMBL3461073 0.88 TYRO3 (0.48) TYRO3ACVR1ROCK2PKN2ACVR2A
SCHEMBL3462749 0.88 ATR (0.53) TYRO3ACVR1ROCK2PKN2ACVR2A
SCHEMBL3461440 0.87 ATR (0.55) TYRO3ACVR1ROCK2PKN2ACVR2A

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 790/4885ACVR1 3787/4885MAPK1 161/4885

“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.