SCHEMBL163966

SCHEMBL163966

CSc1nc(N)cc(O)n1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 2/20 0.39
MAPK1 P28482 1/20 0.36
KMT2A Q03164 5/20 0.36
MEN1 O00255 4/20 0.36
HSP90AA1 P07900 4/20 0.35
RAB9A P51151 3/20 0.34
POLB P06746 2/20 0.34
APP P05067 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
GAA P10253 1/20 0.33
NPC1 O15118 2/20 0.33
LMNA P02545 1/20 0.33
THRB P10828 1/20 0.33
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL30591631 1.00 HSP90AB1 (0.39) HSP90AB1MAPK1KMT2AMEN1HSP90AA1
SCHEMBL537673 0.84 MAPK1 (0.42) HSP90AB1MAPK1KMT2AMEN1HSP90AA1
SCHEMBL3625881 0.84 HSP90AB1 (0.46) HSP90AB1KMT2AMEN1HSP90AA1RAB9A
SCHEMBL23563118 0.82 POLB (0.37) KMT2AMEN1RAB9APOLBSMN1; SMN2
SCHEMBL29352953 0.81 MAPK1 (0.41) HSP90AB1MAPK1KMT2AMEN1HSP90AA1
SCHEMBL28715240 0.81 MAPK1 (0.41) HSP90AB1MAPK1KMT2AMEN1HSP90AA1
SCHEMBL10389212 0.81 MAPK1 (0.41) HSP90AB1MAPK1KMT2AMEN1HSP90AA1
SCHEMBL10389241 0.81 MAPK1 (0.41) HSP90AB1MAPK1KMT2AMEN1HSP90AA1
SCHEMBL6495581 0.78 HSP90AA1 (0.44) MAPK1KMT2AMEN1HSP90AA1RAB9A
SCHEMBL8018804 0.76 KMT2A (0.49) HSP90AB1KMT2AMEN1HSP90AA1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240368505-A1 FLUORINE-FREE CLEANING AGENT, PREPARATION METHOD THEREFOR AND USE THEREOF Tan Kah Kee Innovation Laboratory (CN) 2024-11-07 US claimed
CN-116731798-A Fluorine-free cleaning agent, and preparation method and application thereof 嘉庚创新实验室 2023-09-12 CN claimed
WO-2023133876-A1 FLUORINE-FREE CLEANING AGENT, PREPARATION METHOD THEREFOR AND USE THEREOF 嘉庚创新实验室 2023-07-20 WO claimed
CN-114317127-B Fluorine-free cleaning agent, and preparation method and application thereof 嘉庚创新实验室 2023-07-04 CN claimed
CN-116082333-A Pyrimidine piperidine FGFR inhibitor and preparation method and application thereof 广西鹭港生物医药科技有限公司 2023-05-09 CN claimed
CN-114317127-A Fluoride-free cleaning agent, and preparation method and application thereof 嘉庚创新实验室 2022-04-12 CN claimed
US-12318388-B2 Pyrimidine derivatives for prevention and treatment of gram-negative bacterial infection, contamination and fouling Université de Liège (BE) 2025-06-03 US disclosed
US-20240368505-A1 FLUORINE-FREE CLEANING AGENT, PREPARATION METHOD THEREFOR AND USE THEREOF Tan Kah Kee Innovation Laboratory (CN) 2024-11-07 US disclosed
CN-113329753-B Pyrimidine derivatives for the prevention and treatment of gram-negative bacterial infections, pollution and fouling 列日大学 2024-08-13 CN disclosed
CN-116731798-B Fluorine-free cleaning agent, and preparation method and application thereof 嘉庚创新实验室 2024-07-23 CN disclosed
EP-3955929-B1 NEW PYRIMIDINE DERIVATIVES FOR PREVENTION AND TREATMENT OF GRAM-NEGATIVE BACTERIAL INFECTION, CONTAMINATION AND FOULING UNIV LIEGE (BE) 2024-05-15 EP disclosed
CN-116731798-A Fluorine-free cleaning agent, and preparation method and application thereof 嘉庚创新实验室 2023-09-12 CN disclosed
WO-2023133876-A1 FLUORINE-FREE CLEANING AGENT, PREPARATION METHOD THEREFOR AND USE THEREOF 嘉庚创新实验室 2023-07-20 WO disclosed
WO-1995031469-A1 PTERIDINE NUCLEOTIDE ANALOGS AS FLUORESCENT DNA PROBES THE GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1995-11-23 WO disclosed
US-5393755-A Hypotensive agents, enzyme inhibitors SCHERING CORPORATION (US) 1995-02-28 US disclosed
EP-0538332-A1 POLYCYCLIC GUANINE DERIVATIVES. SCHERING CORP (US) 1993-04-28 EP disclosed
WO-1991019717-A1 POLYCYCLIC GUANINE DERIVATIVES SCHERING CORPORATION (US) 1991-12-26 WO disclosed
US-4550168-A Benzisoselenazolones and a process for the treatment of inflammatory diseases A. NATTERMANN & CIE GMBH (DE) 1985-10-29 US disclosed
EP-0100899-A2 Benzisoselenazolones, process for their preparation and pharmaceutical compositions containing them A. Nattermann & Cie. GmbH (DE) 1984-02-22 EP disclosed
US-4199583-A 4-AMINO-6-HALO-2-METHYLTHIO-, METHOXY-, METHYLSULFINYL- OR METHYLSULFONYL-PYRIMIDINES THE UPJOHN COMPANY (US) 1980-04-22 US 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 (1 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-12318388-B2 Pyrimidine derivatives for prevention and treatment of gram-negative bacterial infection, contamination and fouling PIGS, TYMP, TYMS HSP90AB1 3491/4885MAPK1 1416/4885KMT2A 4361/4885

“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.