SCHEMBL20900287

SCHEMBL20900287

COC(=O)C(=O)c1ccc(-c2cnn(C3CC3)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.40
DAGLA Q9Y4D2 2/20 0.33
NEK2 P51955 1/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
ATM Q13315 1/20 0.33
HSD17B10 Q99714 1/20 0.33
BRD4 O60885 1/20 0.32
BRD3 Q15059 1/20 0.32
CHEK1 O14757 2/20 0.32
RXFP1 Q9HBX9 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
HRH3 Q9Y5N1 1/20 0.32

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
SCHEMBL20899867 0.78 HCRTR1 (0.39) HCRTR1DAGLAHSD17B10
SCHEMBL20899673 0.71 HCRTR1 (0.38) HCRTR1DAGLAALDH1A1KDM4EBRD4
SCHEMBL20900158 0.70 HCRTR1 (0.38) HCRTR1DAGLACHEK1HRH3
SCHEMBL20900159 0.70 HCRTR1 (0.38) HCRTR1DAGLACHEK1HRH3
SCHEMBL20900157 0.70 HCRTR1 (0.38) HCRTR1DAGLACHEK1HRH3
SCHEMBL20899866 0.69 HCRTR1 (0.39) HCRTR1HSD17B10
SCHEMBL27166722 0.67 PSMB8 (0.44) ALDH1A1KDM4EGAAHPGDTSHR
SCHEMBL20899881 0.67 HCRTR1 (0.39) HCRTR1DAGLAHRH3
SCHEMBL21149896 0.66 TSHR (0.37) HCRTR1TSHR
SCHEMBL16596000 0.65 ALDH1A1 (0.37) ALDH1A1KDM4EGAATSHRATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3694846-B1 1-BENZYL-2-IMINO-4-PHENYL-5-OXOIMIDAZOLIDINE DERIVATIVES AS HIV PROTEASE INHIBITORS GILEAD SCIENCES INC (US) 2024-05-08 EP disclosed
CN-111212832-B 1-Benzyl-2-imino-4-phenyl-5-oxoimidazolidine derivatives as HIV protease inhibitors 吉利德科学公司 2023-09-15 CN disclosed
US-11352329-B2 HIV protease inhibitors GILEAD SCIENCES, INC. (US) 2022-06-07 US disclosed
US-11352329-B2 HIV protease inhibitors GILEAD SCIENCES, INC. (US) 2022-06-07 US disclosed
US-20210078959-A1 HIV PROTEASE INHIBITORS GILEAD SCIENCES, INC. 2021-03-18 US disclosed
US-20210078959-A1 HIV PROTEASE INHIBITORS GILEAD SCIENCES, INC. 2021-03-18 US disclosed
US-10774053-B2 HIV protease inhibitors GILEAD SCIENCES, INC. (US) 2020-09-15 US disclosed
US-10774053-B2 HIV protease inhibitors GILEAD SCIENCES, INC. (US) 2020-09-15 US disclosed
EP-3694846-A1 1-BENZYL-2-IMINO-4-PHENYL-5-OXOIMIDAZOLIDINE DERIVATIVES AS HIV PROTEASE INHIBITORS Gilead Sciences, Inc. (US) 2020-08-19 EP disclosed
CN-111212832-A 1-benzyl-2-imino-4-phenyl-5-oxoimidazolidine derivatives as HIV protease inhibitors 吉利德科学公司 2020-05-29 CN disclosed
US-20190210978-A1 HIV PROTEASE INHIBITORS GILEAD SCIENCES, INC. (US) 2019-07-11 US disclosed
US-20190210978-A1 HIV PROTEASE INHIBITORS GILEAD SCIENCES, INC. (US) 2019-07-11 US disclosed
WO-2019075291-A1 1-BENZYL-2-IMINO-4-PHENYL-5-OXOIMIDAZOLIDINE DERIVATIVES AS HIV PROTEASE INHIBITORS GILEAD SCIENCES, INC. (US) 2019-04-18 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 (4 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-20210078959-A1 HIV PROTEASE INHIBITORS PRSS1, SERPINB1, FURIN HCRTR1 3694/4885DAGLA 4267/4885NEK2 3498/4885
US-10774053-B2 HIV protease inhibitors PRSS1, SERPINB1, FURIN HCRTR1 3694/4885DAGLA 4267/4885NEK2 3498/4885
US-11352329-B2 HIV protease inhibitors PRSS1, SERPINB1, FURIN HCRTR1 3694/4885DAGLA 4267/4885NEK2 3498/4885
US-20190210978-A1 HIV PROTEASE INHIBITORS PRSS1, SERPINB1, HPN HCRTR1 3436/4885DAGLA 4383/4885NEK2 3180/4885

“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.