SCHEMBL3460899

SCHEMBL3460899

CN(C)CCNc1nc(-c2ccncc2)nc2ccccc12

nearest known ligand 0.81

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 2/20 0.81
POLB P06746 6/20 0.77
RAD52 P43351 5/20 0.77
SMARCA2 P51531 1/20 0.77
ACP1 P24666 2/20 0.74
ALDH1A1 P00352 3/20 0.71
MAPK1 P28482 2/20 0.71
KDM4E B2RXH2 3/20 0.69
PDE5A O76074 3/20 0.64
PTGS1 P23219 1/20 0.64
TBXAS1 P24557 1/20 0.64
PTGS2 P35354 1/20 0.64
RXFP1 Q9HBX9 1/20 0.61
KMT2A Q03164 2/20 0.60
MEN1 O00255 1/20 0.60
TSHR P16473 1/20 0.60
SLC6A3 Q01959 3/20 0.58
HPGD P15428 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58

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
SCHEMBL29713600 0.92 TLR9 (0.95) TLR9POLBRAD52SMARCA2ACP1
SCHEMBL1085391 0.92 TLR9 (0.95) TLR9POLBRAD52SMARCA2ACP1
SCHEMBL29713606 0.90 TLR9 (1.00) TLR9POLBRAD52SMARCA2ACP1
SCHEMBL5047707 0.90 TLR9 (1.00) TLR9POLBRAD52SMARCA2ACP1
SCHEMBL14758542 0.87 RAD52 (1.00) TLR9POLBRAD52SMARCA2ACP1
SCHEMBL14758284 0.86 POLB (0.86) TLR9POLBRAD52SMARCA2ACP1
SCHEMBL16220560 0.86 TLR9 (0.83) TLR9POLBRAD52SMARCA2ACP1
SCHEMBL23723436 0.84 TLR9 (0.72) TLR9POLBRAD52SMARCA2ACP1
SCHEMBL30125496 0.84 TLR9 (0.72) TLR9POLBRAD52SMARCA2ACP1
SCHEMBL3459468 0.83 MAPK1 (0.82) POLBACP1ALDH1A1MAPK1KDM4E

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1610774-A4 TIE-2 MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2008-07-16 EP claimed
US-20070161651-A1 Tie-2 modulators and methods of use EXELIXIS, INC. (US) 2007-07-12 US claimed
EP-1610774-A2 TIE-2 MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2006-01-04 EP claimed
WO-2004092196-A2 TIE-2 MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2004-10-28 WO claimed
US-7763627-B2 Tie-2 modulators and methods of use EXELIXIS, INC. (US) 2010-07-27 US disclosed
US-7763627-B2 Tie-2 modulators and methods of use EXELIXIS, INC. (US) 2010-07-27 US disclosed
US-7763627-B2 Tie-2 modulators and methods of use EXELIXIS, INC. (US) 2010-07-27 US disclosed
EP-1610774-A4 TIE-2 MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2008-07-16 EP disclosed
US-20070161651-A1 Tie-2 modulators and methods of use EXELIXIS, INC. (US) 2007-07-12 US disclosed
US-20070161651-A1 Tie-2 modulators and methods of use EXELIXIS, INC. (US) 2007-07-12 US disclosed
US-20070161651-A1 Tie-2 modulators and methods of use EXELIXIS, INC. (US) 2007-07-12 US disclosed
EP-1610774-A2 TIE-2 MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2006-01-04 EP disclosed
WO-2004092196-A2 TIE-2 MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2004-10-28 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-20070161651-A1 Tie-2 modulators and methods of use TIE1, TEK, KDR TLR9 2347/4885POLB 3691/4885RAD52 3169/4885

“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.