SCHEMBL2386623

SCHEMBL2386623

Cc1ccc(CN2CCN(c3nsnc3OCc3ccncc3)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
MAPK1 P28482 2/20 0.50
ALOX15 P16050 1/20 0.50
TSHR P16473 1/20 0.50
HSD17B10 Q99714 1/20 0.50
HRH4 Q9H3N8 2/20 0.47
HRH3 Q9Y5N1 4/20 0.45
PRKCI P41743 1/20 0.44
POLB P06746 2/20 0.44
LMNA P02545 2/20 0.44
ACHE P22303 1/20 0.43
BACE1 P56817 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 2/20 0.42
HTT P42858 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
NR2F2 P24468 1/20 0.40

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
SCHEMBL2383667 0.80 ALDH1A1 (0.57) ALDH1A1MAPK1ALOX15TSHRHSD17B10
SCHEMBL2383819 0.79 ALDH1A1 (0.67) ALDH1A1MAPK1ALOX15TSHRHSD17B10
SCHEMBL2382669 0.77 ALDH1A1 (0.57) ALDH1A1MAPK1ALOX15TSHRHSD17B10
SCHEMBL5572377 0.76 ALDH1A1 (0.56) ALDH1A1MAPK1ALOX15TSHRHSD17B10
SCHEMBL2384971 0.74 ALDH1A1 (0.51) ALDH1A1MAPK1ALOX15TSHRHSD17B10
SCHEMBL2385630 0.74 ALDH1A1 (0.49) ALDH1A1MAPK1ALOX15TSHRHSD17B10
SCHEMBL12251225 0.74 ALDH1A1 (0.53) ALDH1A1MAPK1ALOX15TSHRHSD17B10
SCHEMBL12251227 0.74 ALDH1A1 (0.53) ALDH1A1MAPK1ALOX15TSHRHSD17B10
SCHEMBL2384061 0.73 GPR119 (0.63) ALDH1A1MAPK1ALOX15TSHRHSD17B10
Hydrochloric Acid SCHEMBL2384760 0.73 ALDH1A1 (0.52) ALDH1A1MAPK1ALOX15TSHRHSD17B10

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 3053/4885MAPK1 263/4885ALOX15 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.