SCHEMBL20944

SCHEMBL20944

O=C1Nc2ccc(C(=O)O)cc2/C1=C/c1ccc[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TLK2 Q86UE8 8/20 1.00
PDPK1 O15530 6/20 1.00
JAK3 P52333 5/20 1.00
CDK1 P06493 1/20 0.74
CCNB1 P14635 1/20 0.74
NEK2 P51955 1/20 0.74
NTRK1 P04629 1/20 0.71
PDGFRB P09619 2/20 0.70
PDGFRA P16234 1/20 0.70
FLT1 P17948 1/20 0.70
KDR P35968 1/20 0.70
PAK4 O96013 1/20 0.69
RET P07949 2/20 0.67
FLT3 P36888 1/20 0.67
ALK Q9UM73 1/20 0.67

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
SCHEMBL20945 1.00 TLK2 (1.00) TLK2PDPK1JAK3CDK1CCNB1
SCHEMBL4144624 0.90 PDPK1 (0.81) TLK2PDPK1JAK3CDK1CCNB1
SCHEMBL4144620 0.90 PDPK1 (0.81) TLK2PDPK1JAK3CDK1CCNB1
SCHEMBL13080513 0.89 TLK2 (1.00) TLK2PDPK1JAK3CDK1CCNB1
SCHEMBL5728434 0.89 PDPK1 (1.00) TLK2PDPK1JAK3CDK1CCNB1
SCHEMBL5728440 0.89 PDPK1 (1.00) TLK2PDPK1JAK3CDK1CCNB1
SCHEMBL5361523 0.85 PDPK1 (1.00) TLK2PDPK1JAK3CDK1CCNB1
SCHEMBL12200908 0.85 NEK2 (1.00) TLK2PDPK1JAK3CDK1CCNB1
SCHEMBL31061298 0.85 NEK2 (1.00) TLK2PDPK1JAK3CDK1CCNB1
SCHEMBL5728671 0.85 PDPK1 (1.00) TLK2PDPK1JAK3CDK1CCNB1

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
US-20050090541-A1 Indolinone derivatives and their use in treating disease-states such as cancer SCHERING AKTIENGESELLSCHAFT (DE) 2005-04-28 US claimed
WO-2012025726-A1 Novel Hybrid Compounds UNIVERSITY OF GREENWICH (GB) 2012-03-01 WO 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 TLK2 847/4885PDPK1 4/4885JAK3 2537/4885

“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.