SCHEMBL5728833

SCHEMBL5728833

Cc1[nH]cnc1/C=C1\C(=O)Nc2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLK2 Q86UE8 4/20 0.61
NEK2 P51955 2/20 0.60
ALK Q9UM73 2/20 0.58
GSK3B P49841 2/20 0.58
MAPT P10636 2/20 0.56
KMT2A Q03164 2/20 0.56
NPC1 O15118 1/20 0.56
GAA P10253 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
CDK5 Q00535 2/20 0.56
PTK2B Q14289 1/20 0.56
CDK5R1 Q15078 1/20 0.56
NTRK1 P04629 2/20 0.54
KDR P35968 4/20 0.52
RET P07949 2/20 0.52
PDGFRB P09619 2/20 0.52
FLT3 P36888 2/20 0.52
JAK3 P52333 2/20 0.52
SYK P43405 1/20 0.52

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
SCHEMBL5728834 1.00 TLK2 (0.61) TLK2NEK2ALKGSK3BMAPT
SCHEMBL7423015 0.76 KDR (0.60) TLK2ALKGSK3BMAPTKMT2A
SCHEMBL6528272 0.74 PDGFRB (0.54) TLK2MAPTKMT2ANPC1TDP1
SCHEMBL6528268 0.74 PDGFRB (0.54) TLK2MAPTKMT2ANPC1TDP1
SCHEMBL13036886 0.74 GSK3B (1.00) TLK2ALKGSK3BMAPTKMT2A
SCHEMBL11748696 0.74 GSK3B (1.00) TLK2ALKGSK3BMAPTKMT2A
SCHEMBL11748686 0.74 GSK3B (1.00) TLK2ALKGSK3BMAPTKMT2A
SCHEMBL14911029 0.73 KDR (0.56) TLK2ALKGSK3BMAPTKMT2A
SCHEMBL14911028 0.73 KDR (0.56) TLK2ALKGSK3BMAPTKMT2A
SCHEMBL13052166 0.72 KDR (0.80) NEK2ALKGSK3BMAPTKMT2A

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 TLK2 847/4885NEK2 71/4885ALK 2359/4885

“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.