SCHEMBL3459768

SCHEMBL3459768

OCCCNc1nc(-c2ccncc2)nc2ccccc12

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 5/20 0.76
MEN1 O00255 3/20 0.75
KMT2A Q03164 3/20 0.75
MAPK1 P28482 3/20 0.70
KDM4E B2RXH2 3/20 0.70
PTGS1 P23219 1/20 0.66
TBXAS1 P24557 1/20 0.66
PTGS2 P35354 1/20 0.66
LATS1 O95835 2/20 0.64
LATS2 Q9NRM7 2/20 0.64
ALDH1A1 P00352 3/20 0.64
LMNA P02545 2/20 0.64
HPGD P15428 2/20 0.64
ACP1 P24666 1/20 0.64
GBA1 P04062 1/20 0.62
TSHR P16473 1/20 0.61
POLB P06746 3/20 0.61
MAPT P10636 1/20 0.61
PKM P14618 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.59

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
SCHEMBL3459468 0.92 MAPK1 (0.82) PDE5AMEN1KMT2AMAPK1KDM4E
SCHEMBL4893021 0.86 PDE5A (1.00) PDE5AMEN1KMT2AMAPK1ALDH1A1
SCHEMBL7610651 0.85 KDM4E (0.65) PDE5AMEN1KMT2AMAPK1KDM4E
SCHEMBL7606647 0.85 LATS1 (0.79) PDE5AMEN1KMT2AMAPK1KDM4E
SCHEMBL6698790 0.84 LATS1 (0.76) PDE5AMEN1KMT2AMAPK1KDM4E
SCHEMBL7605402 0.83 KDM4E (0.62) PDE5AMEN1KMT2AMAPK1KDM4E
SCHEMBL7606590 0.83 KDM4E (0.62) PDE5AMEN1KMT2AMAPK1KDM4E
SCHEMBL22201643 0.83 KDM4E (1.00) PDE5AMEN1KMT2AMAPK1KDM4E
SCHEMBL22201480 0.82 LATS1 (0.68) PDE5AMEN1KMT2AMAPK1KDM4E
SCHEMBL22201473 0.82 KDM4E (0.63) PDE5AMEN1KMT2AMAPK1KDM4E

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 PDE5A 1963/4885MEN1 1132/4885KMT2A 682/4885

“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.