SCHEMBL3044799

SCHEMBL3044799

CC(=O)Nc1cccc(C#C[Si](C)(C)C)n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.53
LMNA P02545 1/20 0.53
MAPK8 P45983 1/20 0.48
RAB9A P51151 1/20 0.41
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.38
ADORA3 P0DMS8 3/20 0.38
ADORA1 P30542 3/20 0.38
ADORA2B P29275 2/20 0.38
ADORA2A P29274 2/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HPGD P15428 1/20 0.38
CYP1A2 P05177 1/20 0.38
GRM5 P41594 2/20 0.37
ALDH1A1 P00352 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL317425 0.82 L3MBTL1 (0.40) KDM4ERAB9ASMN1; SMN2ADORA1MEN1
SCHEMBL4107177 0.81 KDM4E (0.50) KDM4ELMNAMAPK8RAB9AHSP90AA1
SCHEMBL9298714 0.80 LMNA (0.56) KDM4ELMNAMAPK8RAB9AHSP90AA1
SCHEMBL2767963 0.80 KDM4E (0.56) KDM4ELMNAMAPK8RAB9AHSP90AA1
SCHEMBL3861290 0.79 GRM5 (0.50) KDM4ELMNARAB9ASMN1; SMN2MEN1
SCHEMBL821844 0.78 KDM4E (0.71) KDM4ELMNAMAPK8RAB9AHSP90AA1
SCHEMBL2729825 0.78 KCNH2 (0.39) KDM4ELMNARAB9ASMN1; SMN2MEN1
SCHEMBL23627607 0.77 GLS (0.42) KDM4ELMNAMAPK8RAB9AHSP90AA1
SCHEMBL23235298 0.75 CYP1A2 (0.45) KDM4ELMNAMAPK8RAB9AHSP90AA1
SCHEMBL31098084 0.75 ALDH1A1 (0.40) KDM4ELMNARAB9ASMN1; SMN2MEN1

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 4 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-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-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 KDM4E 1937/4885LMNA 3818/4885MAPK8 2905/4885
US-20060270654-A1 1,6-Dihydro-1,3,5,6-Tetraaza-as-indacene based tricyclic compounds and pharmaceutical compositions comprising same IL1R1, IDO1, TLR1 KDM4E 1937/4885LMNA 3818/4885MAPK8 2905/4885

“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.