SCHEMBL2766152

SCHEMBL2766152

C#Cc1cccc(C(CCO[C@H]2CCCCO2)NC(=O)OC(C)(C)C)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
KDM4C Q9H3R0 1/20 0.35
CDK5 Q00535 2/20 0.34
CDK5R1 Q15078 2/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
CCNA1 P78396 1/20 0.34
KCNK3 O14649 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ITGAV P06756 2/20 0.32
ITGB6 P18564 2/20 0.32
CACNA1B Q00975 2/20 0.32
MAPT P10636 1/20 0.32
ALDH1A1 P00352 2/20 0.31
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ADORA3 P0DMS8 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
SCHEMBL2766153 1.00 MEN1 (0.35) MEN1KMT2AKDM4CCDK5CDK5R1
SCHEMBL2768219 0.90 MEN1 (0.35) MEN1KMT2AKDM4CCDK5CDK5R1
SCHEMBL2768216 0.90 MEN1 (0.35) MEN1KMT2AKDM4CCDK5CDK5R1
SCHEMBL2768734 0.86 MEN1 (0.37) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL2768737 0.86 MEN1 (0.37) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL2769072 0.82 CTSS (0.35) MEN1KMT2ARAB9AMAPTALDH1A1
SCHEMBL13376668 0.79 MEN1 (0.36) MEN1KMT2AKDM4CCDK5CDK5R1
SCHEMBL2767662 0.78 MAPT (0.38) MEN1KMT2ARAB9AMAPTALDH1A1
SCHEMBL3556622 0.77
SCHEMBL2767085 0.76

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 5 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
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 MEN1 1828/4885KMT2A 3054/4885KDM4C 1004/4885
US-20060270654-A1 1,6-Dihydro-1,3,5,6-Tetraaza-as-indacene based tricyclic compounds and pharmaceutical compositions comprising same IL1R1, IDO1, TLR1 MEN1 1828/4885KMT2A 3054/4885KDM4C 1004/4885

“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.