SCHEMBL3759518

SCHEMBL3759518

COc1ccc(N(C)c2nnc(Cl)c3ccccc23)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 8/20 0.46
PDGFRB P09619 4/20 0.46
KDR P35968 4/20 0.46
PDGFRA P16234 2/20 0.46
CASP1 P29466 1/20 0.45
CASP14 P31944 1/20 0.45
CASP3 P42574 1/20 0.45
CASP2 P42575 1/20 0.45
CASP4 P49662 1/20 0.45
CASP5 P51878 1/20 0.45
CASP7 P55210 1/20 0.45
CASP9 P55211 1/20 0.45
CASP6 P55212 1/20 0.45
CASP8 Q14790 1/20 0.45
CASP12 Q6UXS9 1/20 0.45
CASP10 Q92851 1/20 0.45
CSF1R P07333 6/20 0.43
FLT1 P17948 1/20 0.40
HDAC1 Q13547 2/20 0.39
HDAC8 Q9BY41 2/20 0.39

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
SCHEMBL13057013 0.85 CASP1 (0.62) EGFRPDGFRBKDRPDGFRACASP1
SCHEMBL4074929 0.78 CASP1 (0.73) EGFRPDGFRBKDRPDGFRACASP1
SCHEMBL3765305 0.78 KDR (0.48) EGFRPDGFRBKDRCASP1CASP14
SCHEMBL3753977 0.77 EGFR (0.48) EGFRPDGFRBKDRPDGFRACASP1
SCHEMBL3121039 0.76 EGFR (0.74) EGFRPDGFRBKDRPDGFRAHDAC1
Hydrochloric Acid SCHEMBL3123796 0.75 EGFR (0.73) EGFRPDGFRBKDRPDGFRAHDAC1
SCHEMBL2259237 0.73 CSF1R (0.64) EGFRPDGFRBKDRPDGFRACSF1R
SCHEMBL2259608 0.72 EGFR (0.74) EGFRPDGFRBKDRPDGFRAHDAC1
SCHEMBL3755770 0.72 CASP1 (0.47) EGFRPDGFRBKDRPDGFRACASP1
SCHEMBL3758613 0.72 CASP1 (0.47) EGFRPDGFRBKDRPDGFRACASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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
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 claimed
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 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
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
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
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
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 EGFR 3245/4885PDGFRB 1533/4885KDR 2808/4885

“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.