SCHEMBL4128689

SCHEMBL4128689

Cc1[nH]c(/C=C2\C(=O)Nc3c(Nc4cccc(NC(=O)c5ccc(CN6CCN(C)CC6)cc5)c4)cccc32)c(C)c1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 2/20 0.55
NTRK1 P04629 2/20 0.55
BTK Q06187 1/20 0.49
AURKB Q96GD4 5/20 0.47
NTRK2 Q16620 1/20 0.47
KDR P35968 7/20 0.45
FLT3 P36888 6/20 0.45
FLT4 P35916 3/20 0.45
KIT P10721 2/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
PDGFRB P09619 6/20 0.43
ABL1 P00519 2/20 0.43
BCR P11274 1/20 0.43
SRC P12931 1/20 0.43
PDGFRA P16234 1/20 0.43
SYK P43405 1/20 0.43
NTRK3 Q16288 1/20 0.42

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
SCHEMBL4128697 1.00 RET (0.55) RETNTRK1BTKAURKBNTRK2
SCHEMBL394152 0.92 PDGFRB (0.54) RETNTRK1BTKAURKBNTRK2
SCHEMBL10091910 0.92 PDGFRB (0.54) RETNTRK1BTKAURKBNTRK2
SCHEMBL397241 0.90 NTRK2 (0.56) RETNTRK1BTKAURKBNTRK2
SCHEMBL10091909 0.90 NTRK2 (0.56) RETNTRK1BTKAURKBNTRK2
SCHEMBL397630 0.89 FLT3 (0.54) RETNTRK1BTKAURKBNTRK2
SCHEMBL10091908 0.89 FLT3 (0.54) RETNTRK1BTKAURKBNTRK2
SCHEMBL4129059 0.86 FLT3 (0.57) RETNTRK1AURKBNTRK2KDR
SCHEMBL4000250 0.86 FLT3 (0.57) RETNTRK1AURKBNTRK2KDR
SCHEMBL4136312 0.86 FLT3 (0.65) RETNTRK1BTKAURKBNTRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1814545-A4 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-06-10 EP claimed
US-20080221192-A1 Compounds and Compositions as Protein Kinase Inhibitors IRM LLC (BM) 2008-09-11 US claimed
EP-1814545-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM, LLC (BM) 2007-08-08 EP claimed
WO-2006052936-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2006-05-18 WO claimed
EP-1814545-A4 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-06-10 EP disclosed
US-20080221192-A1 Compounds and Compositions as Protein Kinase Inhibitors IRM LLC (BM) 2008-09-11 US disclosed
EP-1814545-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM, LLC (BM) 2007-08-08 EP disclosed
WO-2006052936-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2006-05-18 WO 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-20080221192-A1 Compounds and Compositions as Protein Kinase Inhibitors BMX, FRK, PTK2B RET 5/4885NTRK1 226/4885BTK 18/4885

“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.