SCHEMBL3461676

SCHEMBL3461676

Nc1ncc(-c2cccc(C(=O)NCCN3CCOCC3)c2)nc1C(=O)N[C@H]1CCCNC1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ATR Q13535 11/20 0.60
MAP4K4 O95819 2/20 0.54
GRK5 P34947 1/20 0.49
ACVR1 Q04771 2/20 0.47
CAMK2D Q13557 1/20 0.47
TYRO3 Q06418 2/20 0.47
BMPR1B O00238 1/20 0.45
BMPR1A P36894 1/20 0.45
TGFBR1 P36897 1/20 0.45
ACVRL1 P37023 1/20 0.45
ERN1 O75460 1/20 0.45

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
SCHEMBL3461146 0.93 ATR (0.68) ATRMAP4K4ACVR1CAMK2DTYRO3
SCHEMBL3460685 0.87 ACVR1 (0.50) ATRACVR1TYRO3BMPR1BBMPR1A
SCHEMBL3461206 0.84 TYRO3 (0.53) ATRACVR1TYRO3
SCHEMBL3460301 0.84 TYRO3 (0.61) ATRMAP4K4ACVR1TYRO3
SCHEMBL3461287 0.84 ATR (0.61) ATRMAP4K4ACVR1TYRO3
SCHEMBL3459869 0.84 ATR (0.54) ATRACVR1TYRO3
SCHEMBL3460754 0.83 TYRO3 (0.64) ATRACVR1TYRO3
SCHEMBL3461440 0.83 ATR (0.55) ATRACVR1TYRO3
SCHEMBL3460061 0.82 TYRO3 (0.51) ATRACVR1TYRO3
SCHEMBL3463244 0.82 ATR (0.52) ATRACVR1TYRO3

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 556/4885MAP4K4 11/4885GRK5 30/4885

“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.