SCHEMBL3461298

SCHEMBL3461298

OC[C@@H](Nc1nc(-c2ccncc2)nc2ccccc12)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
LMNA P02545 1/20 0.61
LATS1 O95835 2/20 0.57
PDE5A O76074 2/20 0.56
KDM4E B2RXH2 2/20 0.56
ALDH1A1 P00352 1/20 0.56
POLB P06746 1/20 0.56
PTGS1 P23219 1/20 0.56
TBXAS1 P24557 1/20 0.56
PTGS2 P35354 1/20 0.56
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
MAPT P10636 1/20 0.55
HTT P42858 1/20 0.55
SLC6A3 Q01959 2/20 0.55
ABCG2 Q9UNQ0 2/20 0.54
MAPK1 P28482 1/20 0.54
TGFBR1 P36897 1/20 0.53
MAPK14 Q16539 1/20 0.53

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
SCHEMBL3460395 1.00 HPGD (0.61) HPGDSMN1; SMN2LMNALATS1PDE5A
SCHEMBL13252164 0.88 LATS1 (0.60) HPGDSMN1; SMN2LATS1PDE5AKDM4E
SCHEMBL13252165 0.88 LATS1 (0.60) HPGDSMN1; SMN2LATS1PDE5AKDM4E
SCHEMBL3460199 0.84 ACP1 (0.60) HPGDSMN1; SMN2LATS1PDE5AKDM4E
SCHEMBL3459444 0.81 ACP1 (0.58) HPGDSMN1; SMN2LATS1PDE5AKDM4E
SCHEMBL3461910 0.81 ACP1 (0.58) HPGDSMN1; SMN2LATS1PDE5AKDM4E
SCHEMBL3460980 0.81 PDE5A (0.60) HPGDSMN1; SMN2LATS1PDE5AKDM4E
SCHEMBL3459510 0.81 PDE5A (0.60) HPGDSMN1; SMN2LATS1PDE5AKDM4E
SCHEMBL17799806 0.78 SLC6A3 (0.77) HPGDSMN1; SMN2LATS1PDE5AKDM4E
SCHEMBL3461293 0.78 PDE5A (0.63) HPGDSMN1; SMN2LMNALATS1PDE5A

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 11 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 claimed
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
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 HPGD 1856/4885SMN1; SMN2 3129/4885LMNA 2968/4885

“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.