SCHEMBL5260512

SCHEMBL5260512

CC(C)(C)CCn1c(Cc2ccc(N)cc2)cc2cnc(C#N)nc21

nearest known ligand 0.81

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTSS P25774 19/20 0.81
CTSL P07711 8/20 0.81
CTSK P43235 9/20 0.71

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
SCHEMBL8306549 0.89 CTSS (1.00) CTSSCTSLCTSK
SCHEMBL4137993 0.89 CTSS (0.82) CTSSCTSLCTSK
SCHEMBL5262550 0.82 CTSS (0.69) CTSSCTSLCTSK
SCHEMBL4269451 0.81 CTSS (0.67) CTSSCTSLCTSK
SCHEMBL5260821 0.81 CTSS (0.67) CTSSCTSLCTSK
SCHEMBL13924831 0.80 CTSS (0.85) CTSSCTSLCTSK
SCHEMBL5260228 0.80 CTSS (0.66) CTSSCTSLCTSK
SCHEMBL5255878 0.79 CTSS (0.66) CTSSCTSLCTSK
SCHEMBL13924835 0.79 CTSS (1.00) CTSSCTSLCTSK
SCHEMBL4136793 0.78 CTSS (0.82) CTSSCTSLCTSK

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
EP-1592426-B1 2-CYANOPYRROLOPYRIMIDINES AND PHARMACEUTICAL USES THEREOF NOVARTIS AG (CH) 2007-12-19 EP disclosed
US-20060247251-A1 2-Cyanopyrrolopyrimidines and pharmaceutical uses thereof NOVARTIS AG (CH) 2006-11-02 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-20060247251-A1 2-Cyanopyrrolopyrimidines and pharmaceutical uses thereof DPYD, P2RY1, P2RY2 CTSS 2927/4885CTSL 3093/4885CTSK 3440/4885

“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.