SCHEMBL2767904

SCHEMBL2767904

CNc1nc2[nH]c(-c3cccc(CNC(=O)CCN(C)C)n3)cc2c2c1ncn2C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 19/20 1.00
CHUK O15111 3/20 0.77
RET P07949 1/20 0.77
CYP2C9 P11712 1/20 0.77
EPHA1 P21709 1/20 0.77
FLT4 P35916 1/20 0.77
KDR P35968 1/20 0.77
EPHB1 P54762 1/20 0.77
PTK6 Q13882 1/20 0.77

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
SCHEMBL2766982 0.89 IKBKB (1.00) IKBKBCHUKRETCYP2C9EPHA1
SCHEMBL2769663 0.89 IKBKB (1.00) IKBKBCHUKRETCYP2C9EPHA1
SCHEMBL3043703 0.89 IKBKB (1.00) IKBKBCHUKRETCYP2C9EPHA1
SCHEMBL2768232 0.89 IKBKB (0.85) IKBKBCHUKRETCYP2C9EPHA1
SCHEMBL2766329 0.87 IKBKB (1.00) IKBKBCHUKRETCYP2C9EPHA1
SCHEMBL2766351 0.87 IKBKB (0.80) IKBKBCHUKRETCYP2C9EPHA1
SCHEMBL2768060 0.87 IKBKB (1.00) IKBKBCHUKRETCYP2C9EPHA1
SCHEMBL2767624 0.87 IKBKB (1.00) IKBKBCHUKRETCYP2C9EPHA1
SCHEMBL2768199 0.86 IKBKB (0.83) IKBKBCHUKRETCYP2C9EPHA1
SCHEMBL2765936 0.86 IKBKB (0.89) IKBKBCHUKRETCYP2C9EPHA1

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 IKBKB 419/4885CHUK 1939/4885RET 803/4885
US-20060270654-A1 1,6-Dihydro-1,3,5,6-Tetraaza-as-indacene based tricyclic compounds and pharmaceutical compositions comprising same IL1R1, IDO1, TLR1 IKBKB 419/4885CHUK 1939/4885RET 803/4885

“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.