SCHEMBL5728093

SCHEMBL5728093

COc1ccc2c(c1)/C(=C/c1cc([N+](=O)[O-])c[nH]1)C(=O)N2

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLK2 Q86UE8 5/20 0.61
PDPK1 O15530 4/20 0.61
CDK2 P24941 6/20 0.59
RET P07949 5/20 0.59
CCNE1 P24864 3/20 0.59
GSK3B P49841 3/20 0.59
CDK1 P06493 2/20 0.59
MAPK1 P28482 2/20 0.59
KDR P35968 2/20 0.59
GSK3A P49840 2/20 0.59
CDK7 P50613 2/20 0.59
CDK9 P50750 2/20 0.59
CDK5 Q00535 2/20 0.59
JAK3 P52333 2/20 0.59
PDGFRB P09619 2/20 0.59
NTRK1 P04629 2/20 0.59
NTRK2 Q16620 2/20 0.59
PLK4 O00444 1/20 0.59
CHEK1 O14757 1/20 0.59
AURKA O14965 1/20 0.59

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
SCHEMBL5728094 1.00 TLK2 (0.61) TLK2PDPK1CDK2RETCCNE1
SCHEMBL5728098 0.81 MAPT (0.64) TLK2PDPK1RETGSK3BKDR
SCHEMBL5728101 0.81 MAPT (0.64) TLK2PDPK1RETGSK3BKDR
SCHEMBL5396502 0.80 SRC (0.56) PDPK1CDK2RETCCNE1GSK3B
SCHEMBL1851095 0.78 RET (0.67) CDK2RETCCNE1GSK3BJAK3
SCHEMBL13080904 0.78 RET (0.67) CDK2RETCCNE1GSK3BJAK3
SCHEMBL1851097 0.78 RET (0.67) CDK2RETCCNE1GSK3BJAK3
SCHEMBL13080514 0.77 CCNE1 (0.66) CDK2RETCCNE1GSK3BJAK3
SCHEMBL5728024 0.76 TLK2 (1.00) TLK2PDPK1CDK2RETCCNE1
SCHEMBL5728025 0.76 TLK2 (1.00) TLK2PDPK1CDK2RETCCNE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050090541-A1 Indolinone derivatives and their use in treating disease-states such as cancer SCHERING AKTIENGESELLSCHAFT (DE) 2005-04-28 US claimed
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 TLK2 847/4885PDPK1 4/4885CDK2 59/4885

“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.