SCHEMBL3463244

SCHEMBL3463244

CN1CCN(c2ccc(CNC(=O)c3cccc(-c4cnc(N)c(C(=O)N[C@H]5CCCNC5)n4)c3)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ATR Q13535 9/20 0.52
MAPK14 Q16539 1/20 0.47
TYRO3 Q06418 3/20 0.46
KDM1A O60341 1/20 0.46
HDAC1 Q13547 1/20 0.46
ACVR1 Q04771 1/20 0.44
PRKD1 Q15139 3/20 0.44
PRKCI P41743 1/20 0.43
KMT2A Q03164 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
SCHEMBL3459881 0.88 ATR (0.53) ATRTYRO3ACVR1
SCHEMBL3461440 0.88 ATR (0.55) ATRTYRO3ACVR1
SCHEMBL3460133 0.87 NTRK1 (0.53) ATRTYRO3ACVR1
SCHEMBL3460039 0.87 TYRO3 (0.49) ATRTYRO3ACVR1
SCHEMBL3461948 0.87 TYRO3 (0.49) ATRTYRO3ACVR1
SCHEMBL3462735 0.87 ATR (0.51) ATRTYRO3ACVR1
SCHEMBL3461297 0.87 TYRO3 (0.49) ATRTYRO3ACVR1
SCHEMBL3460915 0.86 TYRO3 (0.49) ATRTYRO3ACVR1
SCHEMBL3475358 0.86 TYRO3 (0.49) ATRTYRO3ACVR1
SCHEMBL3460532 0.86 ACVR1 (0.51) ATRTYRO3ACVR1

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 ATR 556/4885MAPK14 103/4885TYRO3 790/4885

“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.