SCHEMBL3763350

SCHEMBL3763350

CN(c1ccc(Cl)cc1)c1nnc(Cc2ccncc2)c2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT1 P17948 20/20 1.00
KDR P35968 19/20 1.00
PDGFRB P09619 8/20 0.56
KIT P10721 7/20 0.56
CSF1R P07333 2/20 0.56
FLT4 P35916 2/20 0.56
CIT O14578 1/20 0.56
EGFR P00533 1/20 0.56
HLA-A P04439 1/20 0.56
RET P07949 1/20 0.56
PDGFRA P16234 1/20 0.56
RPS6KB1 P23443 1/20 0.56
FRK P42685 1/20 0.56
CDK8 P49336 1/20 0.56
DDR1 Q08345 1/20 0.56
STK3 Q13188 1/20 0.56
PTK6 Q13882 1/20 0.56
MAP3K19 Q56UN5 1/20 0.56
CDK19 Q9BWU1 1/20 0.56
MAP3K20 Q9NYL2 1/20 0.56

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
SCHEMBL4816800 0.85 FLT1 (0.73) FLT1KDRPDGFRBKITCSF1R
SCHEMBL24997217 0.82 FLT1 (0.72) FLT1KDRPDGFRBKITCSF1R
SCHEMBL3864782 0.76 FLT1 (0.62) FLT1KDRPDGFRBKITCSF1R
SCHEMBL30773496 0.73 FLT1 (0.59) FLT1KDRPDGFRBKITCSF1R
SCHEMBL905518 0.73 FLT1 (0.59) FLT1KDRPDGFRBKITCSF1R
SCHEMBL6607291 0.72 KDR (0.57) FLT1KDRPDGFRBKITCSF1R
Chlorobenzene SCHEMBL27534363 0.72 FLT1 (0.59) FLT1KDRPDGFRBKITCSF1R
Vatalanib SCHEMBL29350047 0.72 FLT1 (1.00) FLT1KDRPDGFRBKITCSF1R
Vatalanib SCHEMBL18286 0.72 FLT1 (1.00) FLT1KDRPDGFRBKITCSF1R
Vatalanib SCHEMBL905598 0.71 FLT1 (0.97) FLT1KDRPDGFRBKITCSF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080020985-A1 PHARMACEUTICAL COMPOUNDS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF MYRIAD GENETICS, INC. (US) 2008-01-24 US claimed
US-7842805-B2 Pharmaceutical compounds as activators of caspases and inducers of apoptosis and the use thereof MYREXIS, INC. (US) 2010-11-30 US disclosed
EP-1833803-A4 PHARMACEUTICAL COMPOUNDS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF MYRIAD GENETICS INC (US) 2009-08-05 EP disclosed
US-20080020985-A1 PHARMACEUTICAL COMPOUNDS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF MYRIAD GENETICS, INC. (US) 2008-01-24 US disclosed
EP-1833803-A2 PHARMACEUTICAL COMPOUNDS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF MYRIAD GENETICS, INC. (US) 2007-09-19 EP disclosed
WO-2006074223-A2 PHARMACEUTICAL COMPOUNDS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF MYRIAD GENETICS, INC. (US) 2006-07-13 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-20080020985-A1 PHARMACEUTICAL COMPOUNDS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CASP3, CASP2, CASP5 FLT1 2647/4885KDR 2808/4885PDGFRB 1533/4885

“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.