SCHEMBL22184877

SCHEMBL22184877

Cc1nnc(-n2cnc(C(C)C)c2)cc1F

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 3/20 0.34
▸ PDE10A Q9Y233 3/20 0.34
▸ MAP3K5 Q99683 3/20 0.33

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
SCHEMBL22199103 0.81 SCD (0.39) —
SCHEMBL22185901 0.78 NR2E1 (0.31) —
SCHEMBL22185893 0.73 SCD (0.36) —
SCHEMBL22186133 0.73 RXRA (0.37) —
SCHEMBL22185962 0.70 CYP11B1 (0.35) PDE2APDE10A
SCHEMBL24385685 0.67 PANK3 (0.36) —
SCHEMBL14701743 0.66 IDH1 (0.40) —
SCHEMBL22185892 0.66 TRPV1 (0.34) —
SCHEMBL13341971 0.66 KDM4E (0.56) —
SCHEMBL22185897 0.65 CYP2E1 (0.36) —

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 PDE2A 1852/4885PDE10A 3254/4885MAP3K5 1845/4885

“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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