SCHEMBL6859348

SCHEMBL6859348

O=C1NN=C(c2nccs2)C1=Cc1c[nH]c2ccccc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.63
ALK Q9UM73 10/20 0.48
NTRK1 P04629 2/20 0.48
DAPK3 O43293 1/20 0.48
PRKD3 O94806 1/20 0.48
MAP4K4 O95819 1/20 0.48
ABL1 P00519 1/20 0.48
LCK P06239 1/20 0.48
FYN P06241 1/20 0.48
CSF1R P07333 1/20 0.48
RET P07949 1/20 0.48
PDGFRB P09619 1/20 0.48
PDGFRA P16234 1/20 0.48
LTK P29376 1/20 0.48
GRK5 P34947 1/20 0.48
FLT3 P36888 1/20 0.48
MAPK8 P45983 1/20 0.48
CSNK1A1 P48729 1/20 0.48
CDK7 P50613 1/20 0.48
RPS6KA3 P51812 1/20 0.48

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
SCHEMBL6859343 1.00 KDR (0.63) KDRALKNTRK1DAPK3PRKD3
SCHEMBL6088160 0.82 NTRK1 (0.50) KDRALKNTRK1DAPK3PRKD3
SCHEMBL6088163 0.82 NTRK1 (0.50) KDRALKNTRK1DAPK3PRKD3
SCHEMBL6091684 0.81 KDR (0.51) KDRALKNTRK1DAPK3PRKD3
SCHEMBL6091688 0.81 KDR (0.51) KDRALKNTRK1DAPK3PRKD3
SCHEMBL6091361 0.80 NTRK1 (0.59) KDRALKNTRK1DAPK3PRKD3
SCHEMBL6091355 0.80 NTRK1 (0.59) KDRALKNTRK1DAPK3PRKD3
SCHEMBL6090854 0.80 NTRK1 (0.50) KDRALKNTRK1DAPK3PRKD3
SCHEMBL6090847 0.80 NTRK1 (0.50) KDRALKNTRK1DAPK3PRKD3
SCHEMBL6089705 0.79 KDR (0.52) KDRALKNTRK1DAPK3PRKD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-0690862-B1 QUINOLONE DERIVATIVES AND PROCESSES FOR PREPARING THE SAME KOREA RES INST CHEM TECH (KR) 2002-07-10 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 (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-20030162775-A1 Heterocyclic substituted pyrazolones CYP3A4, CYP3A5, PDXK KDR 3412/4885ALK 187/4885NTRK1 1574/4885

“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.