Sugi Predict

Sugi Predict / Compounds / SCHEMBL3528247

SCHEMBL3528247

SCHEMBL3528247

O=C(O)c1nccn2ccnc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NUDT1 P36639 1/20 0.45
▸ KDM4E B2RXH2 8/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ MAPT P10636 3/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ BLM P54132 1/20 0.41
▸ AGER Q15109 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ ASPH Q12797 1/20 0.38
▸ KDM8 Q8N371 1/20 0.38
▸ MYC P01106 1/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ XDH P47989 1/20 0.34
▸ SLC22A12 Q96S37 1/20 0.34
▸ ATM Q13315 1/20 0.33
▸ NAPRT Q6XQN6 1/20 0.33
▸ TDP1 Q9NUW8 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
SCHEMBL16446060 0.81 NUDT1 (0.48) NUDT1ALDH1A1L3MBTL1TSHRADORA3
SCHEMBL14074684 0.81 NUDT1 (0.43) NUDT1ALDH1A1L3MBTL1CYP3A4
SCHEMBL14074748 0.78 NUDT1 (0.41) NUDT1L3MBTL1
SCHEMBL3522370 0.76 L3MBTL1 (0.47) NUDT1KDM4EALDH1A1MAPTL3MBTL1
SCHEMBL22835753 0.76 KDM4E (0.40) KDM4EALDH1A1MAPTL3MBTL1CYP3A4
SCHEMBL19554927 0.76 MGLL (0.38) KDM4EALDH1A1L3MBTL1MYCADORA3
SCHEMBL29481683 0.74 NUDT1 (0.33) NUDT1KDM4EALDH1A1MAPTL3MBTL1
SCHEMBL9053116 0.74 HPGD (0.40) NUDT1ALDH1A1
SCHEMBL21893576 0.72 KDM4E (0.44) KDM4EALDH1A1MAPTL3MBTL1CYP3A4
SCHEMBL1419899 0.72 KDM4E (0.50) NUDT1KDM4EALDH1A1MAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113453764-B 7H-pyrrolo [2,3-d ] pyrimidin-4-amine derivatives 大鹏药品工业株式会社 2024-04-16 — — CN disclosed
WO-2024076155-A1 NOVEL COMPOUND AS YEATS DOMAIN INHIBITOR 노보렉스 주식회사 2024-04-11 — — WO disclosed
US-11786534-B2 Substituted pyrrolo[2,3-d]pyrimidines as EGFR inhibitors TAIHO PHARMACEUTICAL CO., LTD. (JP) 2023-10-17 — — US disclosed
WO-2023151640-A1 HETEROCYCLIC COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH BEIGENE , LTD. (KY) 2023-08-17 — — WO disclosed
US-20220380570-A1 ELECTRO-POLARIZABLE PARTICLE, PREPARATION METHOD THEREOF, AND ELECTRO-POLARIZABLE ALLOCHROIC OPTICAL FILM Shaoxing Difei New Material Co., Ltd. (CN) 2022-12-01 — — US disclosed
US-20220289685-A1 ANTIMALARIAL HEXAHYDROPYRIMIDINE ANALOGUES UCB BIOPHARMA SRL (SOCIETE A RESPONSABILITE LIMITEE) (BE) 2022-09-15 — — US disclosed
EP-4017591-A1 ANTIMALARIAL HEXAHYDROPYRIMIDINE ANALOGUES UCB Biopharma SRL (BE) 2022-06-29 — — EP disclosed
US-20220160719-A1 7H-PYRROLO[2,3-D]PYRIMIDINE-4-AMINE DERIVATIVE TAIHO PHARMACEUTICAL CO., LTD. (JP) 2022-05-26 — — US disclosed
CN-114206856-A Anti-malarial hexahydropyrimidine analogues UCB生物制药有限责任公司 2022-03-18 — — CN disclosed
EP-3925669-A1 7H-PYRROLO[2,3-D]PYRIMIDINE-4-AMINE DERIVATIVE Taiho Pharmaceutical Co., Ltd. (JP) 2021-12-22 — — EP disclosed
WO-2021032687-A1 ANTIMALARIAL HEXAHYDROPYRIMIDINE ANALOGUES UCB Biopharma SRL (BE) 2021-02-25 — — WO disclosed
US-7709468-B2 Imidazo based heterocycles ABBOTT LABORATORIES (US) 2010-05-04 — — US disclosed
US-20080221092-A1 Heterobicyclic metalloprotease inhibitors BLUHM HARALD 2008-09-11 — — US disclosed
US-20080221092-A1 Heterobicyclic metalloprotease inhibitors BLUHM HARALD 2008-09-11 — — US disclosed
EP-1928237-A2 NOVEL IMIDAZO BASED HETEROCYCLES Abbott Laboratories (US) 2008-06-11 — — EP disclosed
WO-2008063669-A1 HETEROBICYCLIC MATRIX METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2008-05-29 — — WO disclosed
US-20070099925-A1 Novel imidazo based heterocycles ABBVIE INC. 2007-05-03 — — US disclosed
WO-2007028051-A2 NOVEL IMIDAZO BASED HETEROCYCLES ABBOTT LABORATORIES (US) 2007-03-08 — — 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 (5 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-20070099925-A1 Novel imidazo based heterocycles CDK4, CDK2, MAP3K19 NUDT1 1635/4885KDM4E 1894/4885ALDH1A1 1071/4885
US-20220289685-A1 ANTIMALARIAL HEXAHYDROPYRIMIDINE ANALOGUES G6PD, DPYD, DHFR NUDT1 26/4885KDM4E 1118/4885ALDH1A1 1509/4885
US-20220160719-A1 7H-PYRROLO[2,3-D]PYRIMIDINE-4-AMINE DERIVATIVE EGFR, ERBB2, ERBB4 NUDT1 1191/4885KDM4E 789/4885ALDH1A1 1357/4885
US-11786534-B2 Substituted pyrrolo[2,3-d]pyrimidines as EGFR inhibitors EGFR, ERBB2, ERBB3 NUDT1 1167/4885KDM4E 1631/4885ALDH1A1 2271/4885
US-20080221092-A1 Heterobicyclic metalloprotease inhibitors MMP13, MMP3, TIMP3 NUDT1 1972/4885KDM4E 2290/4885ALDH1A1 1875/4885

“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.