SCHEMBL26791964

SCHEMBL26791964

CC(C)c1ccnc(CC(C)c2ccnc(CCC(C)c3ccnc(C(F)(F)F)c3)c2)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LOXL2 Q9Y4K0 2/20 0.35
▸ RXRA P19793 2/20 0.34
▸ GRIN1 Q05586 2/20 0.34
▸ GRIN2B Q13224 2/20 0.34
▸ LOX P28300 1/20 0.34
▸ CBLB Q13191 1/20 0.34
▸ ADAMTS4 O75173 1/20 0.32
▸ MMP13 P45452 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ PSEN1 P49768 1/20 0.32
▸ PSEN2 P49810 1/20 0.32
▸ APH1B Q8WW43 1/20 0.32
▸ NCSTN Q92542 1/20 0.32
▸ APH1A Q96BI3 1/20 0.32
▸ PSENEN Q9NZ42 1/20 0.32
▸ TLR9 Q9NR96 1/20 0.31
▸ TLR8 Q9NR97 1/20 0.31
▸ TLR7 Q9NYK1 1/20 0.31
▸ AAK1 Q2M2I8 3/20 0.31
▸ ACACB O00763 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
SCHEMBL20674836 0.79 HSP90AA1 (0.34) LOXL2RXRAGRIN1GRIN2BCBLB
SCHEMBL179263 0.78 LOXL2 (0.47) LOXL2LOXTLR9TLR8TLR7
SCHEMBL24868449 0.78 ALDH1A1 (0.34) LOXL2RXRAGRIN1GRIN2BAAK1
SCHEMBL19706482 0.76 MDM2 (0.37) LOXL2RXRAGRIN1GRIN2BLOX
SCHEMBL18672470 0.76 LOXL2 (0.44) LOXL2RXRAGRIN1GRIN2BLOX
SCHEMBL24807961 0.76 RXRA (0.34) RXRAGRIN1GRIN2BCBLB
SCHEMBL20272654 0.74 LOXL2 (0.35) LOXL2RXRAGRIN1GRIN2BALDH1A1
SCHEMBL26774132 0.73 LOXL2 (0.41) LOXL2RXRAGRIN1GRIN2BLOX
SCHEMBL20411878 0.73 UHRF1 (0.37) RXRAGRIN1GRIN2BALDH1A1KCNQ2
SCHEMBL18855226 0.72 LOXL2 (0.46) LOXL2RXRAGRIN1GRIN2BLOX

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-20230357179-A1 RAF KINASE INHIBITORS AND METHODS OF USE THEREOF DECIPHERA PHARMACEUTICALS, LLC 2023-11-09 — — 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-20230357179-A1 RAF KINASE INHIBITORS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF LOXL2 1259/4885RXRA 2521/4885GRIN1 4585/4885

“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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