SCHEMBL22185896

SCHEMBL22185896

CCc1cn(-c2cc(F)c(OC)nn2)cn1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.31
▸ GRIN1 Q05586 1/20 0.31
▸ GRIN2B Q13224 1/20 0.31

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
SCHEMBL22185903 0.88 RXRA (0.33) RXRAGRIN1GRIN2B
SCHEMBL22199078 0.81 APP (0.39) —
SCHEMBL22199104 0.69 NR2E1 (0.38) —
SCHEMBL22185261 0.62 MAOA (0.38) —
SCHEMBL22199103 0.62 SCD (0.39) —
SCHEMBL8815608 0.61 NR4A1 (0.47) —
SCHEMBL22199007 0.60 ALDH1A1 (0.38) —
SCHEMBL10160988 0.60 GRM5 (0.33) —
SCHEMBL22185901 0.60 NR2E1 (0.31) —
SCHEMBL20390081 0.60 KDM4E (0.39) GRIN1GRIN2B

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 RXRA 4608/4885GRIN1 2054/4885GRIN2B 2263/4885

“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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