SCHEMBL940555

SCHEMBL940555

CC(=NNC(N)=S)c1cnccn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.58
BAZ2B Q9UIF8 1/20 0.53
GAA P10253 1/20 0.51
CTSK P43235 1/20 0.47
METTL3 Q86U44 2/20 0.46
ATM Q13315 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ADORA3 P0DMS8 1/20 0.44
TSHR P16473 1/20 0.44
MC4R P32245 1/20 0.44
ADRA1A P35348 1/20 0.44
MC3R P41968 1/20 0.44
MAPT P10636 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44

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
SCHEMBL940788 1.00 HSP90AA1 (0.58) HSP90AA1BAZ2BGAACTSKMETTL3
SCHEMBL9876224 0.79 GAA (0.60) HSP90AA1GAANPC1RAB9ASMN1; SMN2
SCHEMBL9876221 0.79 GAA (0.60) HSP90AA1GAANPC1RAB9ASMN1; SMN2
SCHEMBL28402900 0.78 HSP90AA1 (0.67) HSP90AA1BAZ2BGAANPC1RAB9A
SCHEMBL941092 0.77 TOP2A (0.70) HSP90AA1CTSKMETTL3ATMRAB9A
SCHEMBL941093 0.77 TOP2A (0.70) HSP90AA1CTSKMETTL3ATMRAB9A
SCHEMBL9319994 0.77 TOP2A (0.70) HSP90AA1CTSKMETTL3ATMRAB9A
SCHEMBL17975316 0.77 HSP90AA1 (0.71) HSP90AA1BAZ2BGAANPC1RAB9A
Hydrochloric Acid SCHEMBL28396822 0.77 HSP90AA1 (0.65) HSP90AA1BAZ2BGAANPC1RAB9A
SCHEMBL28493225 0.76 TOP2A (0.68) HSP90AA1CTSKMETTL3ATMRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111116495-B Inorganic and organic hybrid Keggin type polyoxometallate compound, preparation method thereof and application thereof in antibiosis 河南大学 2022-07-22 CN claimed
CN-111138372-A Preparation and application of acetylpyrazine thiosemicarbazone metal chelating agent and metal complex thereof 平顶山学院 2020-05-12 CN claimed
CN-111116495-A Inorganic-organic hybrid Keggin type polyoxometallate compound, preparation method thereof and application thereof in antibiosis 河南大学 2020-05-08 CN claimed
CN-110201640-A HPAs complex, the nano complexes material containing it and the application in terms of adsorbing dyestuff 河南大学 2019-09-06 CN claimed
US-20250177456-A1 METHOD AND COMPOSITION FOR PREVENTING AND/OR TREATING METABOLIC DISORDERS UNIV SHANDONG (CN) 2025-06-05 US disclosed
CN-111116495-B Inorganic and organic hybrid Keggin type polyoxometallate compound, preparation method thereof and application thereof in antibiosis 河南大学 2022-07-22 CN disclosed
CN-111116495-B Inorganic and organic hybrid Keggin type polyoxometallate compound, preparation method thereof and application thereof in antibiosis 河南大学 2022-07-22 CN disclosed
CN-111138372-A Preparation and application of acetylpyrazine thiosemicarbazone metal chelating agent and metal complex thereof 平顶山学院 2020-05-12 CN disclosed
CN-111138372-A Preparation and application of acetylpyrazine thiosemicarbazone metal chelating agent and metal complex thereof 平顶山学院 2020-05-12 CN disclosed
CN-111138372-A Preparation and application of acetylpyrazine thiosemicarbazone metal chelating agent and metal complex thereof 平顶山学院 2020-05-12 CN disclosed
CN-111116495-A Inorganic-organic hybrid Keggin type polyoxometallate compound, preparation method thereof and application thereof in antibiosis 河南大学 2020-05-08 CN disclosed
CN-111116495-A Inorganic-organic hybrid Keggin type polyoxometallate compound, preparation method thereof and application thereof in antibiosis 河南大学 2020-05-08 CN disclosed
US-7425636-B2 Thiadiazoline derivative KYOWA HAKKO KOGYO CO., LTD. (JP) 2008-09-16 US disclosed
US-20080207706-A1 THIADIAZOLINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD (JP) 2008-08-28 US disclosed
EP-1847534-A2 Thiadiazoline derivative Kyowa Hakko Kogyo Co., Ltd (JP) 2007-10-24 EP disclosed
US-20070213380-A1 Thiadiazoline derivative KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-09-13 US disclosed
US-20070155804-A1 Mitotic kinesin inhibitor KYOWA HAKKO KOGYO CO., LTD. OF TOKYO, JAPAN FUJI PHOTO FILM CO., LTD. KANAGAWA, JAPAN 2007-07-05 US disclosed
US-20060074113-A1 Thiadiazoline derivative KYOWA KIRIN CO., LTD. (JP) 2006-04-06 US disclosed
EP-1616866-A1 M-STAGE KINESIN INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-01-18 EP disclosed
EP-1454903-A1 THIADIAZOLINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 2004-09-08 EP 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-20060074113-A1 Thiadiazoline derivative BRWD1, RB1, ARG2 HSP90AA1 288/4885BAZ2B 124/4885GAA 4130/4885
US-20070155804-A1 Mitotic kinesin inhibitor KIF15, KIF5A, KIF5B HSP90AA1 1114/4885BAZ2B 886/4885GAA 1882/4885
US-20250177456-A1 METHOD AND COMPOSITION FOR PREVENTING AND/OR TREATING METABOLIC DISORDERS LIPC, GYS2, PNLIP HSP90AA1 2786/4885BAZ2B 4647/4885GAA 159/4885
US-20070213380-A1 Thiadiazoline derivative BRWD1, RB1, ARG2 HSP90AA1 288/4885BAZ2B 124/4885GAA 4130/4885
US-20080207706-A1 THIADIAZOLINE DERIVATIVE BRWD1, RB1, ARG2 HSP90AA1 288/4885BAZ2B 124/4885GAA 4130/4885

“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.