SCHEMBL3559892

SCHEMBL3559892

CN(C(=O)O)c1nc(N)c(CCc2ccc(F)c(C#N)c2)c2c1ncn2C

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.33
S1PR1 P21453 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
GPR52 Q9Y2T5 1/20 0.33
CACNA1H O95180 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
POLB P06746 1/20 0.32
ABCC1 P33527 2/20 0.32
FSCN1 Q16658 1/20 0.32
CHRNA7 P36544 1/20 0.31
MAPK14 Q16539 1/20 0.31
IKBKB O14920 2/20 0.31
CHUK O15111 1/20 0.31
PLA2G7 Q13093 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
CRHBP P24387 1/20 0.30
CRHR2 Q13324 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
SCHEMBL2767418 0.80 FFAR1 (0.32) DPP4
SCHEMBL3559894 0.73 S1PR1 (0.33) S1PR1GPR52PTGDR2
SCHEMBL13348785 0.71 GPR119 (0.33) IKBKBCHUKPLA2G7
SCHEMBL2765896 0.69 IKBKB (0.32) IKBKBCHUK
SCHEMBL12344281 0.69 PIK3CD (0.37) DPP4IKBKBCHUK
SCHEMBL2767707 0.69 IKBKB (0.40) IKBKBCHUK
SCHEMBL2766440 0.68 GRM4 (0.36) MAPK14IKBKBCHUK
SCHEMBL2767744 0.66 IKBKB (0.44) IKBKBCHUK
SCHEMBL2771160 0.66 IKBKB (0.55) IKBKBCHUK
SCHEMBL2767598 0.63 GRM5 (0.32) IKBKBCHUK

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-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
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 (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-20060270654-A1 1,6-Dihydro-1,3,5,6-Tetraaza-as-indacene based tricyclic compounds and pharmaceutical compositions comprising same IL1R1, IDO1, TLR1 DPP4 1382/4885S1PR1 597/4885DPP8 703/4885

“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.