SCHEMBL3461293

SCHEMBL3461293

OC[C@@H](O)CNc1nc(-c2ccncc2)nc2ccccc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 3/20 0.63
PTGS1 P23219 1/20 0.63
TBXAS1 P24557 1/20 0.63
PTGS2 P35354 1/20 0.63
ACP1 P24666 1/20 0.62
KDM4E B2RXH2 3/20 0.60
MAPK1 P28482 2/20 0.60
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
TSHR P16473 1/20 0.59
SLC6A3 Q01959 4/20 0.57
POLB P06746 2/20 0.56
HPGD P15428 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
ALDH1A1 P00352 1/20 0.56
LMNA P02545 1/20 0.56
MAPT P10636 1/20 0.56
PKM P14618 1/20 0.56
LATS1 O95835 1/20 0.55
LATS2 Q9NRM7 1/20 0.55

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
SCHEMBL14453642 0.87 ALDH1A1 (0.71) PDE5APTGS1TBXAS1PTGS2MAPK1
SCHEMBL3460213 0.86 ACP1 (0.71) PDE5APTGS1TBXAS1PTGS2ACP1
SCHEMBL17799806 0.83 SLC6A3 (0.77) PDE5APTGS1TBXAS1PTGS2ACP1
SCHEMBL3459468 0.82 MAPK1 (0.82) PDE5APTGS1TBXAS1PTGS2ACP1
SCHEMBL11836022 0.81 ACP1 (0.51) PDE5AACP1MAPK1MEN1KMT2A
SCHEMBL16964812 0.80 LATS1 (0.65) PDE5APTGS1TBXAS1PTGS2KDM4E
SCHEMBL15644754 0.80 LATS1 (0.65) PDE5APTGS1TBXAS1PTGS2KDM4E
SCHEMBL3459768 0.80 PDE5A (0.76) PDE5APTGS1TBXAS1PTGS2ACP1
SCHEMBL3460199 0.79 ACP1 (0.60) PDE5APTGS1TBXAS1PTGS2ACP1
SCHEMBL7277479 0.78 PDE5A (1.00) PDE5APTGS1TBXAS1PTGS2KDM4E

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
US-20070161651-A1 Tie-2 modulators and methods of use EXELIXIS, INC. (US) 2007-07-12 US 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
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 1963/4885PTGS1 435/4885TBXAS1 524/4885

“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.