SCHEMBL3459938

SCHEMBL3459938

c1ccc2c(NN3CCCCC3)nc(-c3ccncc3)nc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.62
MAPT P10636 2/20 0.62
USP2 O75604 2/20 0.60
TSHR P16473 2/20 0.60
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
KDM4E B2RXH2 4/20 0.59
ALDH1A1 P00352 4/20 0.59
PDE5A O76074 3/20 0.59
POLB P06746 2/20 0.59
HPGD P15428 2/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
TGFBR1 P36897 1/20 0.56
MAPK14 Q16539 1/20 0.56
PTGS1 P23219 1/20 0.55
TBXAS1 P24557 1/20 0.55
PTGS2 P35354 1/20 0.55
GBA1 P04062 1/20 0.55
KDM1A O60341 1/20 0.54
ABCG2 Q9UNQ0 3/20 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
SCHEMBL3459465 0.82 KDM4E (0.51) LMNAMAPTTSHRMEN1KMT2A
SCHEMBL3460750 0.78 ACP1 (0.74) LMNAMAPTUSP2TSHRMEN1
SCHEMBL1083972 0.76 ACP1 (0.85) USP2MEN1KMT2AKDM4EALDH1A1
SCHEMBL3460201 0.75 ACP1 (0.84) USP2MEN1KMT2AKDM4EALDH1A1
SCHEMBL14262837 0.75 KDM4E (0.94) LMNAMAPTUSP2TSHRMEN1
SCHEMBL7434986 0.75 ALDH1A1 (1.00) LMNAMAPTUSP2TSHRMEN1
SCHEMBL3459846 0.74 LATS1 (0.72) KDM4EALDH1A1PDE5APOLBHPGD
SCHEMBL3460111 0.73 GBA1 (0.77) TSHRMEN1KMT2AKDM4EALDH1A1
SCHEMBL3460305 0.72 ALDH1A1 (0.94) LMNAMAPTUSP2TSHRMEN1
SCHEMBL22201472 0.72 GBA1 (0.65) LMNAMAPTUSP2MEN1KMT2A

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 LMNA 2968/4885MAPT 2716/4885USP2 1023/4885

“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.