Sugi Predict

Sugi Predict / Compounds / SCHEMBL2463582

SCHEMBL2463582

SCHEMBL2463582

CC1(C)OB(c2ccccc2OCc2ccncc2)OC1(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 2/20 0.46
▸ DGAT1 O75907 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.40
▸ LMNA P02545 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ IKBKB O14920 1/20 0.38
▸ MAPT P10636 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ LTA4H P09960 1/20 0.37
▸ MAPK14 Q16539 1/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ CYP19A1 P11511 1/20 0.36
▸ CYP11B1 P15538 1/20 0.36
▸ CYP11B2 P19099 1/20 0.36
▸ HTT P42858 1/20 0.35

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
SCHEMBL9946168 0.88 MAPT (0.49) ABCB1DGAT1MAPTMAPK1TDP1
SCHEMBL24770391 0.83 ABCB1 (0.41) ABCB1ALDH1A1LMNASMN1; SMN2IKBKB
SCHEMBL20819186 0.82 ABCB1 (0.49) ABCB1DGAT1
SCHEMBL30303668 0.81 LIPE (0.39) DGAT1ALDH1A1MAPK1L3MBTL1MAPK14
SCHEMBL16706964 0.78 DGAT1 (0.44) DGAT1ALDH1A1MAPTMAPK1TDP1
SCHEMBL1360465 0.78 DGAT1 (0.47) DGAT1ALDH1A1LMNAMAPK1L3MBTL1
SCHEMBL4659537 0.77 LMNA (0.46) ALDH1A1LMNAMAPTL3MBTL1KDM4E
SCHEMBL13043663 0.77 LPL (0.40) DGAT1SMN1; SMN2MAPTTDP1L3MBTL1
SCHEMBL18174184 0.77 LPL (0.40) ALDH1A1LMNASMN1; SMN2MAPTTDP1
SCHEMBL23680880 0.77 ALDH1A1 (0.43) ALDH1A1MAPTTDP1L3MBTL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230102081-A1 COMPOUND AS CYCLIN-DEPENDENT KINASE 9 INHIBITOR AND USE THEREOF CSPC ZHONGQI PHARMACEUTICAL TECHNOLOGY (SHIJIAZHUANG) CO., LTD. (CN) 2023-03-30 — — US disclosed
WO-2021115335-A1 COMPOUND AS CYCLIN-DEPENDENT KINASE 9 INHIBITOR AND USE THEREOF 石药集团中奇制药技术（石家庄）有限公司 2021-06-17 — — WO disclosed
EP-2550257-B1 PHARMACEUTICALLY ACTIVE DISUBSTITUTED TRIAZINE DERIVATIVES LEAD DISCOVERY CENTER GMBH (DE) 2016-12-21 — — EP disclosed
US-20130079345-A1 PHARMACEUTICALLY ACTIVE DISUBSTITUTED TRIAZINE DERIVATIVES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-03-28 — — US disclosed
EP-2550257-A1 PHARMACEUTICALLY ACTIVE DISUBSTITUTED TRIAZINE DERIVATIVES Lead Discovery Center GmbH (DE) 2013-01-30 — — EP disclosed
WO-2011116951-A1 PHARMACEUTICALLY ACTIVE DISUBSTITUTED TRIAZINE DERIVATIVES LEAD DISCOVERY CENTER GMBH (DE) 2011-09-29 — — WO 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-20230102081-A1 COMPOUND AS CYCLIN-DEPENDENT KINASE 9 INHIBITOR AND USE THEREOF CDK9, CDK4, CDKL4 ABCB1 2148/4885DGAT1 3782/4885ALDH1A1 4130/4885
US-20130079345-A1 PHARMACEUTICALLY ACTIVE DISUBSTITUTED TRIAZINE DERIVATIVES PDE5A, TESK2, PAK5 ABCB1 1870/4885DGAT1 2758/4885ALDH1A1 3162/4885

“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.