SCHEMBL5728004

SCHEMBL5728004

Cc1c(CCC(=O)Nc2ccncc2)c[nH]c1/C=C1\C(=O)Nc2ccc(NC(N)=O)cc21

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT2 P31751 10/20 0.77
ZAP70 P43403 2/20 0.58
PDGFRB P09619 6/20 0.56
FGFR1 P11362 5/20 0.56
KDR P35968 5/20 0.56
PDPK1 O15530 2/20 0.50
PDK1 Q15118 2/20 0.49
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49
HDAC5 Q9UQL6 1/20 0.49
EGFR P00533 1/20 0.48
TLK2 Q86UE8 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
SCHEMBL5728007 1.00 AKT2 (0.77) AKT2ZAP70PDGFRBFGFR1KDR
SCHEMBL5727887 0.87 AKT2 (1.00) AKT2ZAP70PDGFRBFGFR1KDR
SCHEMBL5727889 0.87 AKT2 (1.00) AKT2ZAP70PDGFRBFGFR1KDR
SCHEMBL5728385 0.84 AKT2 (0.68) AKT2ZAP70PDGFRBFGFR1KDR
SCHEMBL5728378 0.84 AKT2 (0.68) AKT2ZAP70PDGFRBFGFR1KDR
SCHEMBL5728415 0.80 AKT2 (0.69) AKT2ZAP70PDGFRBFGFR1KDR
SCHEMBL5728417 0.80 AKT2 (0.69) AKT2ZAP70PDGFRBFGFR1KDR
SCHEMBL5728046 0.80 AKT2 (0.74) AKT2ZAP70PDGFRBFGFR1KDR
SCHEMBL5728036 0.80 AKT2 (0.74) AKT2ZAP70PDGFRBFGFR1KDR
SCHEMBL5728308 0.78 AKT2 (1.00) AKT2ZAP70PDGFRBFGFR1KDR

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
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-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 AKT2 1359/4885ZAP70 3279/4885PDGFRB 1462/4885

“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.