SCHEMBL2767378

SCHEMBL2767378

C=C[C@H](NC(=O)OC(C)(C)C)c1cccc(Br)n1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.37
CTSS P25774 5/20 0.36
CTSK P43235 5/20 0.36
CTSB P07858 1/20 0.36
GABRB1 P18505 1/20 0.35
GABRB2 P47870 1/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
RECQL P46063 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
GAA P10253 1/20 0.34
ATM Q13315 1/20 0.34
TGM2 P21980 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL2768221 0.82 MAPT (0.40) MAPTIRAK4CTSSCTSKCTSB
SCHEMBL16410312 0.82 IRAK4 (0.42) MAPTIRAK4CTSSCTSKCTSB
SCHEMBL29265661 0.82 IRAK4 (0.42) MAPTIRAK4CTSSCTSKCTSB
SCHEMBL31691953 0.79 GABRB1 (0.46) MAPTIRAK4CTSSCTSKCTSB
SCHEMBL30912400 0.79 GABRB1 (0.46) MAPTIRAK4CTSSCTSKCTSB
SCHEMBL17449452 0.77 ALDH1A1 (0.37) MAPTIRAK4CTSSCTSKCTSB
SCHEMBL12342019 0.77 IRAK4 (0.38) MAPTIRAK4CTSSCTSKCTSB
SCHEMBL17449453 0.77 IRAK4 (0.38) MAPTIRAK4CTSSCTSKCTSB
SCHEMBL13641677 0.76 GABRB1 (0.43) MAPTIRAK4CTSSCTSKCTSB
SCHEMBL21388683 0.75 NPC1 (0.48) MAPTCTSSCTSKCTSBNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8268855-B2 1,6-dihydro-1,3,5,6-tetraaza-as-indacene based tricyclic compounds and pharmaceutical compositions comprising same BRISTOL-MYERS SQUIBB COMPANY (US) 2012-09-18 US disclosed
US-8268855-B2 1,6-dihydro-1,3,5,6-tetraaza-as-indacene based tricyclic compounds and pharmaceutical compositions comprising same BRISTOL-MYERS SQUIBB COMPANY (US) 2012-09-18 US disclosed
US-8268855-B2 1,6-dihydro-1,3,5,6-tetraaza-as-indacene based tricyclic compounds and pharmaceutical compositions comprising same BRISTOL-MYERS SQUIBB COMPANY (US) 2012-09-18 US disclosed
US-20100210629-A1 1,6-DIHYDRO-1,3,5,6-TETRAAZA-AS-INDACENE BASED TRICYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME BRISTOL-MYERS SQUIBB COMPANY 2010-08-19 US disclosed
US-20100210629-A1 1,6-DIHYDRO-1,3,5,6-TETRAAZA-AS-INDACENE BASED TRICYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME BRISTOL-MYERS SQUIBB COMPANY 2010-08-19 US disclosed
US-20100210629-A1 1,6-DIHYDRO-1,3,5,6-TETRAAZA-AS-INDACENE BASED TRICYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME BRISTOL-MYERS SQUIBB COMPANY 2010-08-19 US disclosed
US-7737279-B2 1,6-dihydro-1,3,5,6-tetraaza-as-indacene based tricyclic compounds and pharmaceutical compositions comprising same BRISTOL-MYERS SQUIBB COMPANY (US) 2010-06-15 US disclosed
US-7737279-B2 1,6-dihydro-1,3,5,6-tetraaza-as-indacene based tricyclic compounds and pharmaceutical compositions comprising same BRISTOL-MYERS SQUIBB COMPANY (US) 2010-06-15 US disclosed
US-7737279-B2 1,6-dihydro-1,3,5,6-tetraaza-as-indacene based tricyclic compounds and pharmaceutical compositions comprising same BRISTOL-MYERS SQUIBB COMPANY (US) 2010-06-15 US disclosed
EP-1888584-B1 1, 6 -DIHYDRO- 1,3, 5, 6-TETRAAZA-AS-INDACENE BASED TRICYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME AS INHIBITORS OF IKK ENZYME ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2010-04-21 EP disclosed
US-20060270654-A1 1,6-Dihydro-1,3,5,6-Tetraaza-as-indacene based tricyclic compounds and pharmaceutical compositions comprising same BRISTOL-MYERS SQUIBB COMPANY 2006-11-30 US 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 (2 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-20100210629-A1 1,6-DIHYDRO-1,3,5,6-TETRAAZA-AS-INDACENE BASED TRICYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME IL1R1, IDO1, TLR1 MAPT 1426/4885IRAK4 64/4885CTSS 2225/4885
US-20060270654-A1 1,6-Dihydro-1,3,5,6-Tetraaza-as-indacene based tricyclic compounds and pharmaceutical compositions comprising same IL1R1, IDO1, TLR1 MAPT 1426/4885IRAK4 64/4885CTSS 2225/4885

“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.