SCHEMBL3460201

SCHEMBL3460201

c1ccc2c(NC3CCCC3)nc(-c3ccncc3)nc2c1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 3/20 0.84
PDE5A O76074 3/20 0.84
LATS1 O95835 2/20 0.76
LATS2 Q9NRM7 2/20 0.76
GBA1 P04062 11/20 0.75
MEN1 O00255 2/20 0.63
KMT2A Q03164 2/20 0.63
HSP90AA1 P07900 1/20 0.63
KDM4E B2RXH2 1/20 0.60
ALDH1A1 P00352 1/20 0.60
POLB P06746 1/20 0.60
HPGD P15428 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
USP2 O75604 1/20 0.60
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
ALOX15 P16050 1/20 0.60
CYP2C19 P33261 1/20 0.60
HSD17B10 Q99714 1/20 0.60
CLK4 Q9HAZ1 1/20 0.60

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
SCHEMBL1083972 0.99 ACP1 (0.85) ACP1PDE5ALATS1LATS2GBA1
SCHEMBL1083845 0.92 ACP1 (1.00) ACP1PDE5ALATS1LATS2GBA1
SCHEMBL4862541 0.90 ACP1 (1.00) ACP1PDE5ALATS1LATS2GBA1
SCHEMBL3459522 0.88 CYP1A2 (0.71) ACP1PDE5ALATS1LATS2GBA1
SCHEMBL22201548 0.88 ACP1 (0.73) ACP1PDE5ALATS1LATS2GBA1
SCHEMBL3460206 0.87 CHEK2 (0.68) ACP1PDE5ALATS1LATS2GBA1
SCHEMBL20548250 0.86 LATS1 (1.00) ACP1PDE5ALATS1LATS2GBA1
SCHEMBL18354085 0.86 GBA1 (1.00) ACP1PDE5AGBA1
SCHEMBL4867358 0.86 ACP1 (1.00) ACP1PDE5AGBA1MEN1KMT2A
SCHEMBL22201472 0.85 GBA1 (0.65) ACP1PDE5ALATS1LATS2GBA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ACP1 1276/4885PDE5A 1963/4885LATS1 1418/4885

“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.