SCHEMBL2383667

SCHEMBL2383667

c1cnc(N2CCN(c3nsnc3OCc3ccncc3)CC2)nc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
TSHR P16473 2/20 0.57
ALOX15 P16050 1/20 0.57
MAPK1 P28482 1/20 0.57
HSD17B10 Q99714 1/20 0.57
HRH4 Q9H3N8 4/20 0.50
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
SLC6A7 Q99884 1/20 0.41
GPR119 Q8TDV5 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
NPC1 O15118 1/20 0.39
USP2 O75604 1/20 0.39
KDM4E B2RXH2 1/20 0.38
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37

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
SCHEMBL2383819 0.86 ALDH1A1 (0.67) ALDH1A1TSHRALOX15MAPK1HSD17B10
SCHEMBL2382669 0.84 ALDH1A1 (0.57) ALDH1A1TSHRALOX15MAPK1HSD17B10
SCHEMBL5572377 0.83 ALDH1A1 (0.56) ALDH1A1TSHRALOX15MAPK1HSD17B10
SCHEMBL12251225 0.80 ALDH1A1 (0.53) ALDH1A1TSHRALOX15MAPK1HSD17B10
SCHEMBL12251227 0.80 ALDH1A1 (0.53) ALDH1A1TSHRALOX15MAPK1HSD17B10
SCHEMBL2386623 0.80 ALDH1A1 (0.50) ALDH1A1TSHRALOX15MAPK1HSD17B10
Hydrochloric Acid SCHEMBL2384760 0.79 ALDH1A1 (0.52) ALDH1A1TSHRALOX15MAPK1HSD17B10
Hydrochloric Acid SCHEMBL2383364 0.79 ALDH1A1 (0.52) ALDH1A1TSHRALOX15MAPK1HSD17B10
SCHEMBL2384241 0.78 ALDH1A1 (0.54) ALDH1A1TSHRALOX15MAPK1HSD17B10
SCHEMBL2384971 0.78 ALDH1A1 (0.51) ALDH1A1TSHRALOX15MAPK1HSD17B10

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-20070275952-A1 Tie-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2007-11-29 US claimed
US-8013156-B2 Tie-2 modulators and methods of use EXELIXIS, INC. (US) 2011-09-06 US disclosed
US-8013156-B2 Tie-2 modulators and methods of use EXELIXIS, INC. (US) 2011-09-06 US disclosed
US-8013156-B2 Tie-2 modulators and methods of use EXELIXIS, INC. (US) 2011-09-06 US disclosed
US-20070275952-A1 Tie-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2007-11-29 US disclosed
US-20070275952-A1 Tie-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2007-11-29 US disclosed
US-20070275952-A1 Tie-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2007-11-29 US disclosed
EP-1608373-A2 TIE-2 MODULATORS AND METHODS OF USE Exelixis Inc. (US) 2005-12-28 EP disclosed
WO-2004083235-A2 TIE-2 MODULATORS AND METHODS OF USE EXELIXIS INC. (US) 2004-09-30 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-20070275952-A1 Tie-2 Modulators and Methods of Use TIE1, TEK, KDR ALDH1A1 3053/4885TSHR 4226/4885ALOX15 1554/4885

“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.