SCHEMBL2767720

SCHEMBL2767720

C[Si](C)(C)C#Cc1cccc(COC2CCCCO2)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.39
DHFR P00374 1/20 0.36
CREBBP Q92793 2/20 0.36
EP300 Q09472 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
GRM5 P41594 2/20 0.36
ICAM1 P05362 1/20 0.36
SELE P16581 1/20 0.36
TACR1 P25103 2/20 0.35
MRGPRX1 Q96LB2 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
RORC P51449 1/20 0.32
PTAFR P25105 1/20 0.31
FFAR1 O14842 1/20 0.31

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
SCHEMBL2766017 0.83 KDM4C (0.39) KDM4CDHFRCREBBPEP300NPC1
SCHEMBL481241 0.83 TACR1 (0.50) KDM4CGRM5TACR1MRGPRX1MEN1
SCHEMBL92943 0.78 KDM4C (0.41) KDM4CDHFRCREBBPEP300NPC1
SCHEMBL3041147 0.77 KDM4C (0.42) KDM4CDHFRCREBBPEP300NPC1
SCHEMBL81084 0.76 GRM5 (0.44) KDM4CDHFRNPC1RAB9AGRM5
SCHEMBL8632096 0.76 ALDH1A1 (0.50) KDM4CDHFRNPC1RAB9ATACR1
SCHEMBL23662562 0.76 DHFR (0.43) KDM4CDHFRCREBBPEP300NPC1
SCHEMBL2767753 0.76 CYP4F2 (0.46) KDM4CDHFRCREBBPEP300NPC1
SCHEMBL1732627 0.76 KDM4C (0.41) KDM4CDHFRCREBBPEP300NPC1
SCHEMBL10214541 0.76 L3MBTL1 (0.47) KDM4CGRM5TACR1L3MBTL1

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 8 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-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
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 KDM4C 1004/4885DHFR 33/4885CREBBP 4604/4885
US-20060270654-A1 1,6-Dihydro-1,3,5,6-Tetraaza-as-indacene based tricyclic compounds and pharmaceutical compositions comprising same IL1R1, IDO1, TLR1 KDM4C 1004/4885DHFR 33/4885CREBBP 4604/4885

“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.