SCHEMBL5228038

SCHEMBL5228038

CCOC(=O)c1nnc(SC)nc1N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.49
ALDH1A1 P00352 6/20 0.45
CYP1A2 P05177 2/20 0.45
MAPT P10636 3/20 0.43
KDM4E B2RXH2 2/20 0.43
RAB9A P51151 5/20 0.42
NPC1 O15118 5/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
NFKB1 P19838 2/20 0.42
NFKB2 Q00653 2/20 0.42
RELA Q04206 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
RECQL P46063 2/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
TSHR P16473 2/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL29478346 1.00 LMNA (0.49) LMNAALDH1A1CYP1A2MAPTKDM4E
SCHEMBL13528413 0.85 MEN1 (0.44) LMNAALDH1A1CYP1A2MAPTKDM4E
SCHEMBL4678132 0.83 LMNA (0.40) LMNAALDH1A1CYP1A2MAPTKDM4E
SCHEMBL15206387 0.83 LMNA (0.40) LMNAALDH1A1CYP1A2MAPTKDM4E
SCHEMBL30656292 0.83 LMNA (0.40) LMNAALDH1A1CYP1A2MAPTKDM4E
SCHEMBL29558416 0.81 MEN1 (0.42) LMNAALDH1A1CYP1A2MAPTNPC1
SCHEMBL5925649 0.81 MEN1 (0.42) LMNAALDH1A1CYP1A2MAPTNPC1
SCHEMBL13528418 0.81 KDM4E (0.43) LMNAALDH1A1CYP1A2MAPTKDM4E
SCHEMBL2843820 0.79 ALDH1A1 (0.59) LMNAALDH1A1CYP1A2MAPTKDM4E
SCHEMBL15395508 0.79 ALDH1A1 (0.43) LMNAALDH1A1CYP1A2MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114315796-B Compounds used as HPK1 kinase inhibitor, preparation method and application thereof 中国药科大学 2024-03-26 CN disclosed
US-20240025924-A1 HETEROCYCLE SUBSTITUTED KETONE DERIVATIVE, AND COMPOSITION AND MEDICINAL USE THEREOF SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2024-01-25 US disclosed
US-20240025924-A1 HETEROCYCLE SUBSTITUTED KETONE DERIVATIVE, AND COMPOSITION AND MEDICINAL USE THEREOF SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2024-01-25 US disclosed
CN-114315796-A Compound used as HPK1 kinase inhibitor and preparation method and application thereof 中国药科大学 2022-04-12 CN disclosed
EP-3475273-B1 3-AMINO PYRIMIDINE DERIVATIVES AND USE THEREOF FOR COMBATING UNDESIRED PLANT GROWTH BAYER CROPSCIENCE AG (DE) 2021-02-24 EP disclosed
US-20200339548-A1 PYRIMIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF CANCER ADORX THERAPEUTICS LTD (GB) 2020-10-29 US disclosed
US-20200339548-A1 PYRIMIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF CANCER ADORX THERAPEUTICS LTD (GB) 2020-10-29 US disclosed
EP-3728236-A1 PYRIMIDINE DERIVATIVES AND THEIR USE USE FOR THE TREATMENT OF CANCER Adorx therapeutics Limited (GB) 2020-10-28 EP disclosed
US-10743540-B2 3-amino-1,2,4-triazine derivatives and their use for controlling undesired plant growth BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-08-18 US disclosed
US-20190230927-A1 3-AMINO-1,2,4-TRIAZINE DERIVATIVES AND THEIR USE FOR CONTROLLING UNDESIRED PLANT GROWTH BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-08-01 US disclosed
EP-3475273-A1 3-AMINO-1,2,4-TRIAZINE DERIVATIVES AND THEIR USE FOR CONTROLLING UNDESIRED PLANT GROWTH Bayer CropScience Aktiengesellschaft (DE) 2019-05-01 EP disclosed
WO-2017220467-A1 3-AMINO-1,2,4-TRIAZINE DERIVATIVES AND THEIR USE FOR CONTROLLING UNDESIRED PLANT GROWTH BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-12-28 WO disclosed
US-9040530-B2 1,2,4-triazine-6-carboxamide kinase inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2015-05-26 US disclosed
US-9040530-B2 1,2,4-triazine-6-carboxamide kinase inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2015-05-26 US disclosed
EP-1575956-B1 FUNGICIDES BASED ON NITROGEN-CONTAINING HETEROCYCLES SYNGENTA LTD (GB) 2007-03-28 EP disclosed
US-20060100203-A1 Fungicides based on nitrogen-containing heterocycles SYNGENTA CROP PROTECTION, INC. 2006-05-11 US disclosed
EP-1575956-A1 FUNGICIDES BASED ON NITROGEN-CONTAINING HETEROCYCLES Syngenta Limited (GB) 2005-09-21 EP disclosed
WO-2004056829-A1 FUNGICIDES BASED ON NITROGEN-CONTAINING HETEROCYCLES SYNGENTA LIMITED (GB) 2004-07-08 WO disclosed
WO-2002076984-A1 COMPOUNDS USEFUL AS KINASE INHIBITORS FOR THE TREATMENT OF HYPERPROLIFERATIVE DISEASES SMITHKLINE BEECHAM CORPORATION (US) 2002-10-03 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-20240025924-A1 HETEROCYCLE SUBSTITUTED KETONE DERIVATIVE, AND COMPOSITION AND MEDICINAL USE THEREOF BCKDK, CYP11B2, HSD17B7 LMNA 1849/4885ALDH1A1 348/4885CYP1A2 28/4885
US-10743540-B2 3-amino-1,2,4-triazine derivatives and their use for controlling undesired plant growth CYP4Z1, DAZAP1, AGXT LMNA 4679/4885ALDH1A1 955/4885CYP1A2 151/4885
US-20200339548-A1 PYRIMIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF CANCER TYMP, TYMS, DPYD LMNA 2831/4885ALDH1A1 465/4885CYP1A2 711/4885
US-20060100203-A1 Fungicides based on nitrogen-containing heterocycles TACR3, NTSR1, CHRM1 LMNA 3707/4885ALDH1A1 3737/4885CYP1A2 301/4885
US-20190230927-A1 3-AMINO-1,2,4-TRIAZINE DERIVATIVES AND THEIR USE FOR CONTROLLING UNDESIRED PLANT GROWTH CYP4Z1, DAZAP1, AGXT LMNA 4679/4885ALDH1A1 955/4885CYP1A2 151/4885

“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.