Sugi Predict

Sugi Predict / Compounds / SCHEMBL23528186

SCHEMBL23528186

SCHEMBL23528186

C=C(OCC)c1ccnc(C(F)(F)F)n1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ CBLB Q13191 4/20 0.36
▸ IDH1 O75874 2/20 0.36
▸ IDH2 P48735 2/20 0.36
▸ IRAK4 Q9NWZ3 1/20 0.36
▸ FOS P01100 3/20 0.35
▸ JUN P05412 3/20 0.35
▸ NFKB1 P19838 3/20 0.35
▸ NFKB2 Q00653 3/20 0.35
▸ RELA Q04206 3/20 0.35
▸ MALT1 Q9UDY8 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ CYP1A2 P05177 1/20 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
SCHEMBL19602818 0.82 CYP1A2 (0.54) ALDH1A1GAAL3MBTL1FOSJUN
SCHEMBL30625833 0.79 CYP1A2 (0.37) ALDH1A1IRAK4KDM4EHPGDMAPT
SCHEMBL15573479 0.76 DGAT1 (0.38) ALDH1A1L3MBTL1IRAK4NFKB1KDM4E
SCHEMBL8564468 0.76 GAA (0.51) ALDH1A1GAAL3MBTL1IDH2POLB
SCHEMBL17820401 0.75 IRAK4 (0.35) ALDH1A1GAAL3MBTL1IRAK4KDM4E
SCHEMBL22481338 0.74 P2RX7 (0.49) ALDH1A1L3MBTL1CBLBIDH1IDH2
SCHEMBL751264 0.74 ALDH1A1 (0.38) ALDH1A1GAAL3MBTL1IRAK4POLB
SCHEMBL31146133 0.74 KDM4E (0.40) ALDH1A1GAAL3MBTL1FOSJUN
SCHEMBL28018942 0.73 IDH1 (0.41) ALDH1A1GAAL3MBTL1CBLBIDH1
SCHEMBL17820773 0.73 CTSK (0.34) ALDH1A1GAAIRAK4NFKB1NFKB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12133841-B2 Heterocyclic compounds as kinase inhibitors, compositions comprising the heterocyclic compound, and methods of use thereof JS INNOMED HOLDINGS LTD. (KY) 2024-11-05 — — US disclosed
CN-112638917-B Heterocyclic compounds as kinase inhibitors, compositions comprising the same, and methods of use thereof 捷思英达控股有限公司 2023-09-08 — — CN disclosed
US-20210188868-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS COMPRISING THE HETEROCYCLIC COMPOUND, AND METHODS OF USE THEREOF JS INNOMED HOLDINGS LTD. (KY) 2021-06-24 — — US disclosed
US-20210188868-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS COMPRISING THE HETEROCYCLIC COMPOUND, AND METHODS OF USE THEREOF JS INNOMED HOLDINGS LTD. (KY) 2021-06-24 — — 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-20210188868-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS COMPRISING THE HETEROCYCLIC COMPOUND, AND METHODS OF USE THEREOF MAP3K11, MAP3K13, MAP3K1 ALDH1A1 2810/4885GAA 1027/4885L3MBTL1 4340/4885
US-12133841-B2 Heterocyclic compounds as kinase inhibitors, compositions comprising the heterocyclic compound, and methods of use thereof MAP3K11, MAP3K13, MAP3K1 ALDH1A1 2810/4885GAA 1027/4885L3MBTL1 4340/4885

“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.