SCHEMBL1007694

SCHEMBL1007694

CN1CCn2nc(C(N)=O)c(N)c2C1=O

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
CCNA2 P20248 1/20 0.30
CDK2 P24941 1/20 0.30
CCNA1 P78396 1/20 0.30
TMEM97 Q5BJF2 1/20 0.30
SIGMAR1 Q99720 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
SCHEMBL1007761 0.79 SMN1; SMN2 (0.36) CCNA2CDK2CCNA1
SCHEMBL18632627 0.73 ERCC1 (0.31) TMEM97SIGMAR1
SCHEMBL18655534 0.73 GABRA1 (0.32) TMEM97SIGMAR1
SCHEMBL1007963 0.73 LMNA (0.33)
SCHEMBL18665244 0.70 NPSR1 (0.35) TMEM97SIGMAR1
SCHEMBL31613039 0.69 IKBKB (0.32) TMEM97SIGMAR1
SCHEMBL17287036 0.69 CCNA2 (0.50) CCNA2CDK2CCNA1
SCHEMBL1006129 0.66 SMN1; SMN2 (0.36)
SCHEMBL22029865 0.64 TMEM97 (0.39) TMEM97SIGMAR1
SCHEMBL20400046 0.64 NLRP3 (0.39) TMEM97SIGMAR1

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-20110118236-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-19 US disclosed
EP-2269990-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-01-05 EP 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-20110118236-A1 HETEROCYCLIC COMPOUND GRIN1, GRM1, GRIK1 ADORA2A 178/4885ADORA1 88/4885CCNA2 1925/4885

“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.