SCHEMBL3765305

SCHEMBL3765305

CN(c1ccccc1)c1nnc(Cl)c2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.48
FLT1 P17948 1/20 0.48
EGFR P00533 2/20 0.47
PDE5A O76074 2/20 0.45
CSF1R P07333 2/20 0.44
PDGFRB P09619 1/20 0.42
CASP1 P29466 1/20 0.41
CASP14 P31944 1/20 0.41
CASP3 P42574 1/20 0.41
CASP2 P42575 1/20 0.41
CASP4 P49662 1/20 0.41
CASP5 P51878 1/20 0.41
CASP7 P55210 1/20 0.41
CASP9 P55211 1/20 0.41
CASP6 P55212 1/20 0.41
CASP8 Q14790 1/20 0.41
CASP12 Q6UXS9 1/20 0.41
CASP10 Q92851 1/20 0.41
GOT1 P17174 1/20 0.41
ALDH1A1 P00352 1/20 0.40

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 0.84 CASP1 (0.62) KDRFLT1EGFRCSF1RPDGFRB
SCHEMBL3765353 0.78 APAF1 (0.41) EGFRCSF1RCASP3CASP6GOT1
SCHEMBL3759518 0.78 EGFR (0.46) KDRFLT1EGFRCSF1RPDGFRB
SCHEMBL29365992 0.73 GOT1 (0.62) CASP3GOT1ALDH1A1POLBMAPT
SCHEMBL345211 0.73 GOT1 (0.62) CASP3GOT1ALDH1A1POLBMAPT
SCHEMBL27758703 0.71 GOT1 (0.60) CASP3GOT1ALDH1A1POLBMAPT
SCHEMBL3110618 0.70 EGFR (0.76) KDREGFRPDE5APDGFRBMAPT
SCHEMBL29909096 0.70 EGFR (0.76) KDREGFRPDE5APDGFRBMAPT
Hydrochloric Acid SCHEMBL9776746 0.69 EGFR (0.74) KDREGFRPDE5APDGFRBMAPT
Bicarbonate SCHEMBL11022555 0.68 GOT1 (0.52) CASP1CASP3GOT1ALDH1A1POLB

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 9 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
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 KDR 2808/4885FLT1 2647/4885EGFR 3245/4885

“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.