SCHEMBL2767592

SCHEMBL2767592

CN(C(=O)O)c1nc(N=C(c2ccccc2)c2ccccc2)cc2c1ncn2C

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.37
APOBEC3A P31941 1/20 0.35
MAPK14 Q16539 2/20 0.33
GRM5 P41594 2/20 0.32
MEN1 O00255 1/20 0.30
IKBKB O14920 1/20 0.30
CHUK O15111 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
PTGES O14684 1/20 0.30
EGLN1 Q9GZT9 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NOTUM Q6P988 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
SCHEMBL13759287 0.79 CDK1 (0.36) KMT2AGRM5SMN1; SMN2
SCHEMBL2766667 0.74 DYRK1A (0.37) KMT2AAPOBEC3AMAPK14EGLN1
SCHEMBL9967030 0.72 TDP1 (0.38) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL31566330 0.72 USP1 (0.34) KMT2AGRM5
SCHEMBL26675774 0.71 KMT2A (0.39) KMT2AAPOBEC3AGRM5NPC1RAB9A
SCHEMBL30071566 0.71 KMT2A (0.39) KMT2AAPOBEC3AGRM5NPC1RAB9A
SCHEMBL18398171 0.70 KMT2A (0.36) KMT2AGRM5MEN1NPC1RAB9A
SCHEMBL30071521 0.68 KMT2A (0.36) KMT2AMAPK14GRM5MEN1IKBKB
SCHEMBL31601024 0.67 DPP4 (0.39) KMT2AGRM5NPC1RAB9AEGLN1
SCHEMBL18398270 0.66 ALDH1A1 (0.37) KMT2AAPOBEC3AMEN1SMN1; SMN2

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 KMT2A 3054/4885APOBEC3A 3497/4885MAPK14 4657/4885
US-20060270654-A1 1,6-Dihydro-1,3,5,6-Tetraaza-as-indacene based tricyclic compounds and pharmaceutical compositions comprising same IL1R1, IDO1, TLR1 KMT2A 3054/4885APOBEC3A 3497/4885MAPK14 4657/4885

“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.