SCHEMBL12344281

SCHEMBL12344281

BN(C)c1nc(N)c(-c2ccc(F)c(C#N)c2)c2c1ncn2C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.37
ABL1 P00519 1/20 0.37
EGFR P00533 1/20 0.37
HCK P08631 1/20 0.37
SRC P12931 1/20 0.37
KDR P35968 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
MTOR P42345 1/20 0.37
PIK3CG P48736 1/20 0.37
EPHB4 P54760 1/20 0.37
PRKDC P78527 1/20 0.37
NSD2 O96028 5/20 0.37
IKBKB O14920 2/20 0.36
FLT3 P36888 2/20 0.33
BACE1 P56817 1/20 0.32
BACE2 Q9Y5Z0 1/20 0.32
RPS6KB1 P23443 1/20 0.32
CNR2 P34972 1/20 0.31
CHUK O15111 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
SCHEMBL13348785 0.82 GPR119 (0.33) PIK3CDABL1EGFRHCKSRC
SCHEMBL12344413 0.80 NPC1 (0.36) PIK3CDIKBKBCNR2CHUK
SCHEMBL2767418 0.69 FFAR1 (0.32) DPP4
SCHEMBL12344291 0.69 IKBKB (0.38) IKBKBCHUK
SCHEMBL3559892 0.69 DPP4 (0.33) IKBKBCHUKDPP4
SCHEMBL2767744 0.66 IKBKB (0.44) IKBKBCHUK
SCHEMBL12344495 0.65 FNTA (0.37) NSD2IKBKBCHUK
SCHEMBL2767379 0.65 IKBKB (0.71) IKBKBCHUK
SCHEMBL5656461 0.65 IKBKB (0.69) IKBKBCHUK
SCHEMBL12344619 0.65 IKBKB (0.43) PRKDCIKBKBCNR2CHUK

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 2 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 PIK3CD 2901/4885ABL1 717/4885EGFR 1466/4885

“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.