SCHEMBL6857445

SCHEMBL6857445

O=C1CC(c2nccs2)=NN1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.44
ADORA2A P29274 3/20 0.36
ADORA1 P30542 3/20 0.36
PDPK1 O15530 1/20 0.36
KDR P35968 3/20 0.35
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
ABL1 P00519 1/20 0.33
BCR P11274 1/20 0.33
LOXL2 Q9Y4K0 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP2A6 P11509 1/20 0.33
ALDH1A1 P00352 2/20 0.32
METAP1 P53582 1/20 0.32
HSP90AA1 P07900 1/20 0.32
TSHR P16473 1/20 0.30

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
SCHEMBL3650591 0.77 PDE4A (0.36) ADORA2AADORA1PDPK1KDRLOXL2
SCHEMBL10671159 0.74 SMN1; SMN2 (0.55) PDPK1ABL1BCRLOXL2SMN1; SMN2
SCHEMBL20522794 0.68 AXL (0.53) AXLSMN1; SMN2ALDH1A1HSD17B10
SCHEMBL102331 0.66 PDPK1 (0.59) ADORA2AADORA1PDPK1LOXL2CYP2A6
SCHEMBL4343534 0.66 MAPT (0.38) ADORA2AADORA1PDPK1GABRA1GABRG2
SCHEMBL6849455 0.64 AXL (0.58) AXLGABRA1GABRG2GABRB3SMN1; SMN2
SCHEMBL8791532 0.64 AXL (0.58) AXLSMN1; SMN2CYP2A6ALDH1A1METAP1
SCHEMBL6858234 0.64 AXL (0.44) AXLKDRSMN1; SMN2
SCHEMBL5566954 0.64 AXL (0.69) AXLSMN1; SMN2ALDH1A1TSHR
SCHEMBL31556353 0.63 PDPK1 (0.56) ADORA2AADORA1PDPK1LOXL2CYP2A6

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
CN-1387528-A Heterocyclic substd, pyrazolones CEPHALON INC (US) 2002-12-25 CN 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 (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 AXL 1420/4885ADORA2A 1869/4885ADORA1 1199/4885

“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.