SCHEMBL18053

SCHEMBL18053

Nc1ccc2c(c1)/C(=C/c1ccc[nH]1)C(=O)N2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 12/20 1.00
RET P07949 4/20 1.00
FLT3 P36888 3/20 1.00
ALK Q9UM73 2/20 1.00
PDGFRB P09619 5/20 0.71
KDR P35968 4/20 0.71
FLT1 P17948 2/20 0.71
PDGFRA P16234 1/20 0.71
TLK2 Q86UE8 6/20 0.68
JAK3 P52333 5/20 0.68
SYK P43405 1/20 0.68
ATM Q13315 1/20 0.68
CHEK1 O14757 1/20 0.68
AURKA O14965 1/20 0.68
DAPK3 O43293 1/20 0.68
PRKD3 O94806 1/20 0.68
MAP4K4 O95819 1/20 0.68
NTRK1 P04629 1/20 0.68
LCK P06239 1/20 0.68
FYN P06241 1/20 0.68

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
SCHEMBL18054 1.00 PDPK1 (1.00) PDPK1RETFLT3ALKPDGFRB
SCHEMBL5728607 0.89 PDPK1 (0.80) PDPK1RETFLT3ALKPDGFRB
SCHEMBL5728610 0.89 PDPK1 (0.80) PDPK1RETFLT3ALKPDGFRB
SCHEMBL6957030 0.86 PDPK1 (0.76) PDPK1RETFLT3ALKPDGFRB
SCHEMBL6957025 0.86 PDPK1 (0.76) PDPK1RETFLT3ALKPDGFRB
SCHEMBL396510 0.84 PDPK1 (0.72) PDPK1RETFLT3ALKPDGFRB
SCHEMBL396509 0.84 PDPK1 (0.72) PDPK1RETFLT3ALKPDGFRB
SCHEMBL5373346 0.83 PDPK1 (0.71) PDPK1RETFLT3ALKPDGFRB
SCHEMBL5727973 0.83 PDPK1 (1.00) PDPK1RETFLT3ALKPDGFRB
SCHEMBL5728408 0.83 PDPK1 (0.76) PDPK1RETFLT3ALKPDGFRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1680401-A2 INDOLINONE DERIVATIVES AND THEIR USE IN TREATING DISEASE-STATES SUCH AS CANCER Schering Aktiengesellschaft (DE) 2006-07-19 EP claimed
WO-2005040116-A2 INDOLINONE DERIVATIVES AND THEIR USE IN TREATING DISEASE-STATES SUCH AS CANCER SCHERING AKTIENGESELLSCHAFT (DE) 2005-05-06 WO claimed
US-20050090541-A1 Indolinone derivatives and their use in treating disease-states such as cancer SCHERING AKTIENGESELLSCHAFT (DE) 2005-04-28 US claimed
US-9567305-B2 Quinoxaline compounds and derivatives SOUTHERN METHODIST UNIVERSITY (US) 2017-02-14 US disclosed
US-9567305-B2 Quinoxaline compounds and derivatives SOUTHERN METHODIST UNIVERSITY (US) 2017-02-14 US disclosed
WO-2012025726-A1 Novel Hybrid Compounds UNIVERSITY OF GREENWICH (GB) 2012-03-01 WO disclosed
US-7105563-B2 Indolinone derivatives and their use in treating disease-states such as cancer SCHERING AKTIENGESELLSCHAFT (DE) 2006-09-12 US disclosed
EP-1680401-A2 INDOLINONE DERIVATIVES AND THEIR USE IN TREATING DISEASE-STATES SUCH AS CANCER Schering Aktiengesellschaft (DE) 2006-07-19 EP disclosed
WO-2005040116-A2 INDOLINONE DERIVATIVES AND THEIR USE IN TREATING DISEASE-STATES SUCH AS CANCER SCHERING AKTIENGESELLSCHAFT (DE) 2005-05-06 WO disclosed
US-20050090541-A1 Indolinone derivatives and their use in treating disease-states such as cancer SCHERING AKTIENGESELLSCHAFT (DE) 2005-04-28 US 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-20050090541-A1 Indolinone derivatives and their use in treating disease-states such as cancer PDK3, PDK2, PDK4 PDPK1 4/4885RET 1754/4885FLT3 1806/4885

“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.