SCHEMBL3045457

SCHEMBL3045457

CCN(C(=O)O)c1nc2c(cc(-c3cc(F)cc(C#N)c3)n2CCNCCO)c2[nH]cnc12

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33

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
SCHEMBL3551505 0.91 GRIN1 (0.30) GRIN1GRIN2B
SCHEMBL3045454 0.79 JAK2 (0.34) GRIN1GRIN2B
SCHEMBL2768740 0.78 NLRP3 (0.30)
SCHEMBL2769080 0.77 NLRP3 (0.32)
SCHEMBL2769844 0.77 NLRP3 (0.30)
SCHEMBL2765879 0.76 KCNA5 (0.30)
SCHEMBL2767096 0.76 NLRP3 (0.30)
SCHEMBL2767659 0.76 KDM4E (0.31)
SCHEMBL2768319 0.75 NLRP3 (0.31)
SCHEMBL12344514 0.75 IKBKB (0.35) GRIN1GRIN2B

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 GRIN1 2026/4885GRIN2B 3900/4885

“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.