SCHEMBL3758755

SCHEMBL3758755

COc1ccc(CNc2nncc3ccccc23)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.57
EGFR P00533 3/20 0.56
POLB P06746 3/20 0.56
NR2F2 P24468 1/20 0.56
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
TP53 P04637 3/20 0.56
GAA P10253 2/20 0.56
MAPT P10636 2/20 0.56
PKM P14618 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
KDR P35968 1/20 0.53
SLC2A1 P11166 1/20 0.51
NCF1 P14598 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
KDM4E B2RXH2 2/20 0.49
MAPK1 P28482 1/20 0.49
OXTR P30559 1/20 0.49

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
SCHEMBL29372940 1.00 APP (0.57) APPEGFRPOLBNR2F2NPC1
SCHEMBL29370429 0.85 KDM4E (0.57) APPEGFRPOLBNPC1RAB9A
SCHEMBL3765296 0.83 TP53 (0.48) APPEGFRPOLBNR2F2NPC1
SCHEMBL3753939 0.83 TP53 (0.48) APPEGFRPOLBNR2F2TP53
SCHEMBL3753974 0.83 APP (0.60) APPNPC1RAB9ATP53SMN1; SMN2
SCHEMBL3121603 0.82 MAP2K4 (0.58) APPEGFRPOLBNR2F2TP53
SCHEMBL3108720 0.82 MAP2K4 (0.61) APPEGFRPOLBNR2F2TP53
SCHEMBL3918436 0.81 POLB (0.58) EGFRPOLBNPC1RAB9ATP53
SCHEMBL509566 0.81 EGFR (0.64) APPEGFRPOLBNR2F2NPC1
SCHEMBL3765283 0.80 POLB (0.50) APPEGFRPOLBNR2F2TP53

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 APP 732/4885EGFR 3245/4885POLB 2925/4885

“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.