SCHEMBL996451

SCHEMBL996451

Nc1ncc2sccc2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.42
ADORA1 P30542 3/20 0.42
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 3/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
PPARG P37231 1/20 0.39
HTT P42858 1/20 0.39
NCOA2 Q15596 1/20 0.39
NCOA1 Q15788 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39
HSP90AA1 P07900 1/20 0.39
DYRK1A Q13627 2/20 0.37
CSNK1D P48730 1/20 0.37
CSNK1E P49674 1/20 0.37
CLK1 P49759 1/20 0.37
PIK3CA P42336 2/20 0.35
MTOR P42345 2/20 0.35
TSHR P16473 1/20 0.34

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
Trifluoroacetic Acid SCHEMBL27806358 0.84 ADORA2A (0.38) ADORA2AADORA1KDM4EPIK3CALCK
SCHEMBL29861959 0.75 ADORA2A (0.42) ADORA2AADORA1ALDH1A1KDM4EMAPT
SCHEMBL30637303 0.75 KDM4E (0.41) ADORA2AADORA1ALDH1A1KDM4EMAPT
SCHEMBL30960690 0.75 KDM4E (0.39) ALDH1A1KDM4EMAPTHPGDPPARG
SCHEMBL4184827 0.75 KDM4E (0.39) ALDH1A1KDM4EMAPTHPGDPPARG
SCHEMBL2162809 0.75 KDM4E (0.41) ADORA2AADORA1ALDH1A1KDM4EMAPT
SCHEMBL358864 0.75 ADORA2A (0.42) ADORA2AADORA1ALDH1A1KDM4EMAPT
SCHEMBL6105107 0.75 KDM4E (0.39) ALDH1A1KDM4EMAPTHPGDPPARG
SCHEMBL16011610 0.72 ALDH1A1 (0.35) ADORA2AADORA1ALDH1A1KDM4EMAPT
SCHEMBL30093042 0.72 ALDH1A1 (0.35) ADORA2AADORA1ALDH1A1KDM4EMAPT

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 55 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11969427-B2 Use of TREM-1 inhibitors for treatment, elimination and eradication of HIV-1 infection EMORY UNIVERSITY (US) 2024-04-30 US claimed
EP-3971190-A1 HETEROCYCLE-FUSED PYRIMIDINE DERIVATIVE AND USE THEREOF Voronoi Inc. (KR) 2022-03-23 EP claimed
CN-101998958-B Thieno-and furo-pyrimidine modulators of histamine H4 receptor JANSSEN PHARMACEUTICA NV 2014-03-12 CN claimed
CN-103242341-A Thieno 2,4-substituted pyrimidine compound, and pharmaceutical composition and application thereof GUANGZHOU INST BIOMED & HEALTH 2013-08-14 CN claimed
CN-101998958-A Thieno-and furo-pyrimidine modulators of the histamine h4 receptor JANSSEN PHARMACEUTICA NV 2011-03-30 CN claimed
US-20080261823-A1 Fluorescent Nucleoside Analogs That Mimic Naturally Occurring Nucleosides THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2008-10-23 US claimed
CN-1910190-A Thienopyrimidine and thienopyridine derivatives substituted with cyclic amino group TAISHO PHARMACEUTICAL CO LTD (JP) 2007-02-07 CN claimed
US-12473300-B2 Thienopyrimidine derivative and preparation method therefor GUANGZHOU MAXINOVEL PHARMACEUTICALS CO., LTD. (CN) 2025-11-18 US disclosed
WO-2025125293-A1 THIENOPYRIMIDYLAMINE DERIVATIVES AS PHGDH INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2025-06-19 WO disclosed
EP-4565577-A1 INHIBITORS AND USES THEREFOR Macquarie University (AU) 2025-06-11 EP disclosed
CN-115151550-B External nucleotide pyrophosphatase/phosphodiesterase 1 (ENPP 1) modulators and uses thereof 桑福德·伯纳姆·普雷比医学发现研究所 2024-11-22 CN disclosed
CN-116981669-B Pyrimidine or pyrido heterocyclic adenosine receptor inhibitor, preparation method and application thereof 上海齐鲁制药研究中心有限公司 2024-08-30 CN disclosed
CN-113354660-B Thienopyrimidine derivative and preparation method thereof 广州再极医药科技有限公司 2024-04-23 CN disclosed
EP-1051176-A4 SUBSTITUTED OXOAZAHETEROCYCLYL FACTOR Xa INHIBITORS AVENTIS PHARM PROD INC (US) 2002-06-12 EP disclosed
EP-1208097-A2 SUBSTITUTED OXOAZAHETEROCYCLYL COMPOUNDS Aventis Pharmaceuticals Inc. (US) 2002-05-29 EP disclosed
CN-1291892-A Substituted oxoazaheterocyclyl factor Xa inhibitors AWENTIS PHARMACEUTICAL INC (US) 2001-04-18 CN disclosed
WO-2001007436-A2 SUBSTITUTED OXOAZAHETEROCYCLYL COMPOUNDS AVENTIS PHARMACEUTICALS INC. (US) 2001-02-01 WO disclosed
EP-1051176-A1 SUBSTITUTED OXOAZAHETEROCYCLYL FACTOR Xa INHIBITORS Aventis Pharmaceuticals Products Inc. (US) 2000-11-15 EP disclosed
WO-2000032590-A1 SUBSTITUTED OXOAZAHETEROCYCLYL FACTOR Xa INHIBITORS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 2000-06-08 WO disclosed
WO-1999037304-A1 SUBSTITUTED OXOAZAHETEROCYCLYL FACTOR Xa INHIBITORS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 1999-07-29 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 (3 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-12473300-B2 Thienopyrimidine derivative and preparation method therefor DPYD, WEE1, TYMP ADORA2A 723/4885ADORA1 511/4885ALDH1A1 1010/4885
US-11969427-B2 Use of TREM-1 inhibitors for treatment, elimination and eradication of HIV-1 infection MERTK, PNP, HAVCR2 ADORA2A 112/4885ADORA1 66/4885ALDH1A1 2077/4885
US-20080261823-A1 Fluorescent Nucleoside Analogs That Mimic Naturally Occurring Nucleosides NSUN2, NSUN3, NCL ADORA2A 243/4885ADORA1 436/4885ALDH1A1 2943/4885

“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.