SCHEMBL22185905

SCHEMBL22185905

COc1cnc(-n2cnc(C(C)C)c2)cn1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ APLNR P35414 2/20 0.35
▸ SIRT6 Q8N6T7 1/20 0.33
▸ GRM5 P41594 1/20 0.32
▸ GRM1 Q13255 1/20 0.32
▸ GCG P01275 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
SCHEMBL22185898 0.82 GCG (0.30) GCG
SCHEMBL22199089 0.79 CYP2E1 (0.39) SIRT6
SCHEMBL22184875 0.74 CYP3A4 (0.33) GCG
SCHEMBL22185897 0.72 CYP2E1 (0.36) —
SCHEMBL179314 0.72 APLNR (0.53) APLNRSIRT6
SCHEMBL31472465 0.72 APLNR (0.53) APLNRSIRT6
SCHEMBL22184960 0.70 PANK3 (0.37) GCG
SCHEMBL11901185 0.70 GCG (0.36) GRM5GRM1GCG
SCHEMBL179297 0.69 CYP2E1 (0.42) —
SCHEMBL3138241 0.66 SIRT6 (0.56) APLNRSIRT6

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-20200206233-A1 HETEROCYCLIC COMPOUNDS AS MUTANT IDH INHIBITORS INTEGRAL BIOSCIENCES PRIVATE LIMITED (IN) 2020-07-02 — — 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-20200206233-A1 HETEROCYCLIC COMPOUNDS AS MUTANT IDH INHIBITORS IDH1, IDH2, IDH3A APLNR 4746/4885SIRT6 300/4885GRM5 1668/4885

“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.

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