SCHEMBL22326695

SCHEMBL22326695

NNc1ccc2c(N)ncnn12

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.43
RIPK1 Q13546 3/20 0.33
TNIK Q9UKE5 1/20 0.33
EGLN2 Q96KS0 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
SCHEMBL21137294 0.83 MAP4K4 (0.42) MAP4K4RIPK1TNIK
SCHEMBL20820178 0.78 MAP4K4 (0.47) MAP4K4RIPK1TNIK
SCHEMBL15740086 0.76 MAP4K4 (0.46) MAP4K4RIPK1TNIKEGLN2
SCHEMBL13075167 0.74 MAP4K4 (0.44) MAP4K4RIPK1TNIK
SCHEMBL57305 0.74 MAP4K4 (0.44) MAP4K4RIPK1TNIK
SCHEMBL17238976 0.74 MAP4K4 (0.44) MAP4K4RIPK1TNIKEGLN2
SCHEMBL64667 0.74 MAP4K4 (0.44) MAP4K4RIPK1TNIKEGLN2
SCHEMBL21539219 0.72 PI4KA (0.33) MAP4K4
SCHEMBL19402915 0.70 MAP4K4 (0.41) MAP4K4RIPK1TNIK
SCHEMBL12392887 0.70 RET (0.41) MAP4K4RIPK1TNIK

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-10766919-B2 Cyclic di-nucleotide compounds as sting agonists MERCK SHARP & DOHME CORP. (US) 2020-09-08 US disclosed
US-10738074-B2 Cyclic di-nucleotide compounds as STING agonists MERCK SHARP & DOHME CORP. (US) 2020-08-11 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-10766919-B2 Cyclic di-nucleotide compounds as sting agonists STING1, CGAS, IFNAR1 MAP4K4 2610/4885RIPK1 585/4885TNIK 2864/4885
US-10738074-B2 Cyclic di-nucleotide compounds as STING agonists STING1, CGAS, IFNAR1 MAP4K4 2573/4885RIPK1 623/4885TNIK 2932/4885

“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.