SCHEMBL6857437

SCHEMBL6857437

Cc1cc(C)c(/C=C2/C(=O)NN=C2c2cnccn2)[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 17/20 1.00
CHEK1 O14757 1/20 0.56
RET P07949 4/20 0.43
FLT3 P36888 3/20 0.43
ALK Q9UM73 3/20 0.43
ABL1 P00519 2/20 0.43
CSF1R P07333 2/20 0.43
FGFR1 P11362 2/20 0.43
SRC P12931 2/20 0.43
FLT1 P17948 2/20 0.43
FGFR3 P22607 2/20 0.43
MAPK1 P28482 2/20 0.43
FLT4 P35916 2/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
GMNN O75496 1/20 0.43
USP2 O75604 1/20 0.43
LMNA P02545 1/20 0.43
PDGFRB P09619 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL6857443 1.00 KDR (1.00) KDRCHEK1RETFLT3ALK
SCHEMBL6088744 0.86 KDR (0.76) KDRCHEK1RETFLT3ALK
SCHEMBL6088755 0.86 KDR (0.76) KDRCHEK1RETFLT3ALK
SCHEMBL6090121 0.83 KDR (0.71) KDRCHEK1RETFLT3ALK
SCHEMBL6090112 0.83 KDR (0.71) KDRCHEK1RETFLT3ALK
SCHEMBL6090180 0.81 KDR (0.68) KDRCHEK1CYP1A2
SCHEMBL6090168 0.81 KDR (0.68) KDRCHEK1CYP1A2
SCHEMBL6088788 0.80 KDR (0.76) KDRRETFLT3ALKABL1
SCHEMBL6088783 0.80 KDR (0.76) KDRRETFLT3ALKABL1
SCHEMBL6090731 0.77 KDR (0.77) KDRCHEK1RETFLT3ALK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080125362-A1 Method of screening compound preventing cells from infection with Hepatitis C virus (HCV) JAPAN TOBACCO INC. (JP) 2008-05-29 US disclosed
US-20080125362-A1 Method of screening compound preventing cells from infection with Hepatitis C virus (HCV) JAPAN TOBACCO INC. (JP) 2008-05-29 US disclosed
US-6831075-B2 Administering to a host for inhibiting kinase activity a 5-heterocylcic subustituted pyrazolone derivative CEPHALON, INC. 2004-12-14 US disclosed
US-20030162775-A1 Heterocyclic substituted pyrazolones CEPHALON, INC. 2003-08-28 US disclosed
US-6455525-B1 Heterocyclic substituted pyrazolones CEPHALON, INC. 2002-09-24 US disclosed
EP-1226141-A1 HETEROCYCLIC SUBSTITUTED PYRAZOLONES CEPHALON, INC. (US) 2002-07-31 EP disclosed
WO-2001032653-A1 HETEROCYCLIC SUBSTITUTED PYRAZOLONES CEPHALON, INC. (US) 2001-05-10 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 (2 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-20030162775-A1 Heterocyclic substituted pyrazolones CYP3A4, CYP3A5, PDXK KDR 3412/4885CHEK1 1374/4885RET 1073/4885
US-20080125362-A1 Method of screening compound preventing cells from infection with Hepatitis C virus (HCV) HAVCR2, FGFR1, FGFR2 KDR 566/4885CHEK1 1696/4885RET 492/4885

“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.