SCHEMBL3460685

SCHEMBL3460685

Nc1ncc(-c2cccc(OCCN3CCOCC3)c2)nc1C(=O)N[C@H]1CCCNC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 3/20 0.50
BMPR1B O00238 2/20 0.50
BMPR1A P36894 2/20 0.50
TGFBR1 P36897 2/20 0.50
ACVRL1 P37023 2/20 0.50
ATR Q13535 8/20 0.47
TYRO3 Q06418 4/20 0.46
CCNE2 O96020 1/20 0.45
CCNE1 P24864 1/20 0.45
CDK2 P24941 1/20 0.45
GSK3B P49841 1/20 0.45
HDAC1 Q13547 1/20 0.44
PRKCA P17252 1/20 0.44
PRKCQ Q04759 1/20 0.44
EPHX2 P34913 1/20 0.43
SIK2 Q9H0K1 1/20 0.43
SIK3 Q9Y2K2 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
SCHEMBL3461876 0.91 ATR (0.46) ATRTYRO3CCNE2CCNE1CDK2
SCHEMBL3460004 0.88 TYRO3 (0.53) ACVR1ATRTYRO3
SCHEMBL3461676 0.87 ATR (0.60) ACVR1BMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL3460952 0.86 ATR (0.45) ACVR1BMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL3460859 0.85 TYRO3 (0.52) ACVR1ATRTYRO3
SCHEMBL3459733 0.84 TYRO3 (0.55) ACVR1ATRTYRO3
SCHEMBL14237374 0.83 ATR (0.43) ACVR1ATRTYRO3CCNE2CCNE1
SCHEMBL3462056 0.83 CHEK1 (0.62) ACVR1ATRTYRO3
SCHEMBL3822499 0.83 PIK3CD (0.52) ACVR1ATRCCNE2CCNE1CDK2
SCHEMBL3460835 0.83 TYRO3 (0.65) ACVR1ATRTYRO3

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 ACVR1 3787/4885BMPR1B 3670/4885BMPR1A 2987/4885

“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.