SCHEMBL2765900

SCHEMBL2765900

CCN(C(=O)O)c1nc(N)c(C#Cc2ccc(C#N)cc2)c2[nH]cnc12

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.34
CYP3A5 P20815 1/20 0.34
KDM5B Q9UGL1 3/20 0.31
KDM4A O75164 2/20 0.31
KDM4B O94953 2/20 0.31
KDM5C P41229 2/20 0.31
HSP90AB1 P08238 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
EGLN1 Q9GZT9 1/20 0.30

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
SCHEMBL2767713 0.91 LRRK2 (0.35)
SCHEMBL2767422 0.88 FFAR1 (0.33)
SCHEMBL2766237 0.75 ADORA2A (0.34)
SCHEMBL2767062 0.72 GRM5 (0.30)
SCHEMBL3559894 0.71 S1PR1 (0.33)
SCHEMBL2765896 0.68 IKBKB (0.32) EGLN1
SCHEMBL2766670 0.66 PNP (0.36) EGLN1
SCHEMBL17766823 0.57 ALDH1A1 (0.42) CYP3A4
SCHEMBL4305897 0.56 PGR (0.64)
Water SCHEMBL5259730 0.55 PRMT5 (0.37)

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 CYP3A4 265/4885CYP3A5 81/4885KDM5B 725/4885
US-20060270654-A1 1,6-Dihydro-1,3,5,6-Tetraaza-as-indacene based tricyclic compounds and pharmaceutical compositions comprising same IL1R1, IDO1, TLR1 CYP3A4 265/4885CYP3A5 81/4885KDM5B 725/4885

“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.