SCHEMBL1629461

SCHEMBL1629461

CCOc1ncnc(N2CCC(C)(C)C2)c1F

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.44
ACACB O00763 15/20 0.42
FFAR2 O15552 1/20 0.38
AKT1 P31749 2/20 0.34
RPS6KB1 P23443 1/20 0.34
AKT2 P31751 1/20 0.34
AKT3 Q9Y243 1/20 0.34
JAK3 P52333 1/20 0.34

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
SCHEMBL83976 0.84 ACACB (0.40) SIGMAR1ACACBFFAR2
SCHEMBL10074499 0.81 ACACB (0.44) ACACBAKT2JAK3
SCHEMBL10074500 0.80 ACACB (0.43) SIGMAR1ACACBAKT2JAK3
SCHEMBL10074502 0.80 ACACB (0.43) SIGMAR1ACACBAKT2JAK3
SCHEMBL10073993 0.79 ACACB (0.44) SIGMAR1ACACBFFAR2AKT1RPS6KB1
SCHEMBL82711 0.77 SIGMAR1 (0.37) SIGMAR1ACACBFFAR2JAK3
SCHEMBL10074501 0.72 ACACB (0.43) ACACB
SCHEMBL1628329 0.70 ACACB (0.46) ACACBAKT2JAK3
SCHEMBL10074122 0.69 ACACB (0.45) ACACBAKT2JAK3
SCHEMBL1629504 0.69 ACACB (0.45) ACACBAKT2JAK3

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-20120088914-A1 PRODUCTION METHOD OF PYRIMIDINE COMPOUNDS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-04-12 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-20120088914-A1 PRODUCTION METHOD OF PYRIMIDINE COMPOUNDS DPYD, DHFR, DHODH SIGMAR1 2950/4885ACACB 426/4885FFAR2 1295/4885

“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.