SCHEMBL22185903

SCHEMBL22185903

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

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 2/20 0.33
▸ GRIN1 Q05586 2/20 0.33
▸ GRIN2B Q13224 2/20 0.33
▸ KCNH2 Q12809 3/20 0.32
▸ PSEN1 P49768 1/20 0.31
▸ PSEN2 P49810 1/20 0.31
▸ APH1B Q8WW43 1/20 0.31
▸ NCSTN Q92542 1/20 0.31
▸ APH1A Q96BI3 1/20 0.31
▸ PSENEN Q9NZ42 1/20 0.31
▸ EGLN2 Q96KS0 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
SCHEMBL22185896 0.88 RXRA (0.31) RXRAGRIN1GRIN2B
SCHEMBL22199104 0.83 NR2E1 (0.38) KCNH2PSEN1PSEN2APH1BNCSTN
SCHEMBL22199078 0.70 APP (0.39) KCNH2PSEN1PSEN2APH1BNCSTN
SCHEMBL22199006 0.64 ALDH1A1 (0.32) —
SCHEMBL10160988 0.61 GRM5 (0.33) —
SCHEMBL22185963 0.60 PDE2A (0.31) —
SCHEMBL20390081 0.60 KDM4E (0.39) GRIN1GRIN2B
SCHEMBL22184938 0.60 KCNH2 (0.42) KCNH2PSEN1PSEN2APH1BNCSTN
SCHEMBL11974045 0.60 CPB2 (0.48) —
SCHEMBL22199103 0.59 SCD (0.39) KCNH2PSEN1PSEN2APH1BNCSTN

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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