SCHEMBL5220679

SCHEMBL5220679

CS(=O)(=O)c1ccncn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.39
P2RX7 Q99572 1/20 0.34
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
PTGS2 P35354 2/20 0.31
PTGS1 P23219 1/20 0.31
PIK3CD O00329 2/20 0.30
PIK3CB P42338 2/20 0.30
PIK3CG P48736 2/20 0.30
PIP5K1C O60331 1/20 0.30
PI4KA P42356 1/20 0.30
PI4KB Q9UBF8 1/20 0.30
CTNNB1 P35222 1/20 0.30
WNT3A P56704 1/20 0.30
HRH4 Q9H3N8 1/20 0.30
PIP4K2C Q8TBX8 1/20 0.30
MAPK11 Q15759 1/20 0.30
MAPK14 Q16539 1/20 0.30
PIK3CA P42336 1/20 0.30
MELK Q14680 1/20 0.30

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
SCHEMBL19422050 0.78 HSP90AA1 (0.37) HSP90AA1P2RX7LMNACTNNB1WNT3A
SCHEMBL14080697 0.77 CA2 (0.47) HSP90AA1P2RX7CA12CA1CA2
SCHEMBL29579947 0.77 HSP90AA1 (0.39) HSP90AA1P2RX7LMNACTNNB1WNT3A
SCHEMBL4066547 0.77 HSP90AA1 (0.39) HSP90AA1P2RX7
SCHEMBL27564370 0.77 HSP90AA1 (0.39) HSP90AA1P2RX7LMNACTNNB1WNT3A
SCHEMBL19296833 0.77 HSP90AA1 (0.35) HSP90AA1P2RX7LMNAPOLB
Hydrochloric Acid SCHEMBL27855557 0.76 CA2 (0.45) HSP90AA1P2RX7CA12CA1CA2
Hydrochloric Acid SCHEMBL27772824 0.76 HSP90AA1 (0.38) HSP90AA1P2RX7
SCHEMBL19304143 0.74 HSP90AA1 (0.33) HSP90AA1P2RX7
SCHEMBL19304077 0.74 HSP90AA1 (0.33) HSP90AA1P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0839144-B1 PIPERAZINE DERIVATIVES AS THERAPEUTIC AGENTS KNOLL GMBH (DE) 2001-09-19 EP claimed
CN-119564878-A Bioactive substance conjugate, preparation method and application thereof 苏州宜联生物医药有限公司 2025-03-07 CN disclosed
CN-119504997-A Bioactive substance conjugate, preparation method and application thereof 苏州宜联生物医药有限公司 2025-02-25 CN disclosed
CN-119497631-A Antibody drug conjugate, preparation method and application thereof 苏州宜联生物医药有限公司 2025-02-21 CN disclosed
CN-119486763-A Antibody drug conjugate, preparation method and application thereof 苏州宜联生物医药有限公司 2025-02-18 CN disclosed
CN-115279417-B Bioactive substance conjugate, preparation method and application thereof 苏州宜联生物医药有限公司 2025-01-03 CN disclosed
US-20170247376-A1 METHODS AND COMPOSITIONS FOR INHIBITION OF RAS ARAXES PHARMA LLC (US) 2017-08-31 US disclosed
CN-102300458-A New herbicides 2011-12-28 CN disclosed
EP-1648871-B1 PIPERIDINE OR 8-AZA-BICYCLO 3.2.1 OCT-3-YL DERIVATIVES USEFUL AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2007-10-17 EP disclosed
US-20070112022-A1 Piperidine derivatives as ccr5 receptor modulators ASTRAZENECA AB (SE) 2007-05-17 US disclosed
CN-1188473-A 4-substituted 5-polycyclylpyrimidine herbicides DOWELANCO (US) 1998-07-22 CN disclosed
US-5780465-A 4-substituted 5-polycyclylpyrimidine herbicides DOW AGROSCIENCES LLC (US) 1998-07-14 US disclosed
US-5776858-A HERBICIDES NIHON BAYER AGROCHEM K.K. (JP) 1998-07-07 US disclosed
EP-0843666-A1 4-SUBSTITUTED 5-POLYCYCLYLPYRIMIDINE HERBICIDES DOWELANCO (US) 1998-05-27 EP disclosed
WO-1997037978-A1 4-SUBSTITUTED 5-POLYCYCLYLPYRIMIDINE HERBICIDES DOWELANCO (US) 1997-10-16 WO disclosed
EP-0771797-A1 1-Azinyl-tetrazolinone herbicides NIHON BAYER AGROCHEM K.K. (JP) 1997-05-07 EP disclosed
US-5254679-A Containing a quaternized nitrogen IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-10-19 US disclosed
US-5049558-A Quaternized nitrogen-heterocycle substituted IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-09-17 US disclosed
EP-0164944-B1 CEPHALOSPORIN DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-07-11 EP disclosed
EP-0164944-A1 Cephalosporin derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-12-18 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 (2 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-20170247376-A1 METHODS AND COMPOSITIONS FOR INHIBITION OF RAS KRAS, NRAS, HRAS HSP90AA1 814/4885P2RX7 4672/4885LMNA 1339/4885
US-20070112022-A1 Piperidine derivatives as ccr5 receptor modulators CCR5, CCR2, CCR6 HSP90AA1 1301/4885P2RX7 83/4885LMNA 3984/4885

“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.