SCHEMBL17811628

SCHEMBL17811628

CCC1CCn2nc(C(C)(C)C)cc21

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.32
GRM5 P41594 1/20 0.32

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
SCHEMBL17811635 0.91 NOS3 (0.33)
SCHEMBL16455143 0.78 RIPK1 (0.34) RIPK1
SCHEMBL17811634 0.78 GRM5 (0.33) GRM5
SCHEMBL22833834 0.77 NOS3 (0.36) RIPK1
SCHEMBL26076020 0.77 HRH4 (0.33) GRM5
SCHEMBL19228217 0.75 RIPK1 (0.33) RIPK1
SCHEMBL24252084 0.72 KCNH2 (0.33)
SCHEMBL22309037 0.71 HRH4 (0.32)
SCHEMBL20221858 0.71 RIPK1 (0.55) RIPK1GRM5
SCHEMBL25596570 0.71 MAPK13 (0.30) GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9605004-B2 Chemical compounds SYNGENTA LIMITED (GB) 2017-03-28 US disclosed
US-9605004-B2 Chemical compounds SYNGENTA LIMITED (GB) 2017-03-28 US disclosed
US-20160168126-A1 CHEMICAL COMPOUNDS SYNGENTA LIMITED (GB) 2016-06-16 US disclosed
US-20160159819-A1 CHEMICAL COMPOUNDS SYNGENTA LIMITED (GB) 2016-06-09 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-20160168126-A1 CHEMICAL COMPOUNDS RDX, CBR3, RRS1 RIPK1 1493/4885GRM5 2212/4885
US-20160159819-A1 CHEMICAL COMPOUNDS RDX, CBR3, RRS1 RIPK1 1576/4885GRM5 2087/4885

“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.