SCHEMBL19821670

SCHEMBL19821670

CC(C)c1ccnc(CC(F)(F)F)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR55 Q9Y2T6 2/20 0.34
▸ RXRA P19793 5/20 0.33
▸ GRIN1 Q05586 5/20 0.33
▸ GRIN2B Q13224 5/20 0.33
▸ JAK2 O60674 2/20 0.32
▸ LNPEP Q9UIQ6 4/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ CHRNA7 P36544 1/20 0.31
▸ BACE1 P56817 1/20 0.31
▸ PDK2 Q15119 1/20 0.30
▸ TLR8 Q9NR97 1/20 0.30
▸ TLR7 Q9NYK1 1/20 0.30
▸ AURKA O14965 1/20 0.30
▸ DAPK3 O43293 1/20 0.30
▸ MAP4K4 O95819 1/20 0.30
▸ PAK4 O96013 1/20 0.30
▸ ABL1 P00519 1/20 0.30
▸ LCK P06239 1/20 0.30
▸ FYN P06241 1/20 0.30
▸ CSF1R P07333 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
SCHEMBL19822069 0.84 RXRA (0.34) RXRAGRIN1GRIN2BJAK2LNPEP
SCHEMBL19821720 0.83 KDM4E (0.35) RXRAGRIN1GRIN2BJAK2ALDH1A1
SCHEMBL12120617 0.79 RXRA (0.35) RXRAGRIN1GRIN2BJAK2ALDH1A1
SCHEMBL4569948 0.78 RXRA (0.39) RXRAGRIN1GRIN2BALDH1A1CHRNA7
SCHEMBL11994370 0.77 CYP1A2 (0.46) RXRAGRIN1GRIN2BJAK2ALDH1A1
SCHEMBL24807961 0.76 RXRA (0.34) RXRAGRIN1GRIN2B
SCHEMBL3507581 0.76 TLR9 (0.38) RXRAGRIN1GRIN2BJAK2ALDH1A1
SCHEMBL21705891 0.76 RXRA (0.35) RXRAGRIN1GRIN2BJAK2ALDH1A1
SCHEMBL16548463 0.76 UHRF1 (0.45) LNPEPALDH1A1AURKB
SCHEMBL5108681 0.76 JAK2 (0.46) RXRAGRIN1GRIN2BJAK2ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021220183-A1 IMIDAZOPYRIMIDINES AS MODULATORS OF IL-17 JANSSEN PHARMACEUTICA NV (BE) 2021-11-04 — — WO disclosed
US-10183015-B2 Heterocyclic compounds and methods of use MEDIVATION TECHNOLOGIES LLC (US) 2019-01-22 — — US disclosed
US-20180028518-A1 Heterocyclic Compounds and Methods of Use MEDIVATION TECHNOLOGIES LLC 2018-02-01 — — 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 (2 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-20180028518-A1 Heterocyclic Compounds and Methods of Use LIPC, CPT1A, FABP1 GPR55 3190/4885RXRA 288/4885GRIN1 4619/4885
US-10183015-B2 Heterocyclic compounds and methods of use LIPC, CPT1A, FABP1 GPR55 3190/4885RXRA 288/4885GRIN1 4619/4885

“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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