SCHEMBL4635179

SCHEMBL4635179

Cn1nnc2c(N)cccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.48
KEAP1 Q14145 1/20 0.48
TLR8 Q9NR97 1/20 0.41
KDM4E B2RXH2 5/20 0.40
LMNA P02545 2/20 0.39
TSHR P16473 2/20 0.39
GRM2 Q14416 4/20 0.38
HSD17B10 Q99714 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
HTR3A P46098 1/20 0.36
ELANE P08246 1/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
FBP1 P09467 1/20 0.35
CYP3A4 P08684 1/20 0.34
PIK3CA P42336 1/20 0.34
MAPT P10636 2/20 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
SCHEMBL31474375 1.00 SLC9A1 (0.48) SLC9A1KEAP1TLR8KDM4ELMNA
SCHEMBL30036706 0.78 SLC9A1 (0.50) SLC9A1KEAP1TLR8KDM4ELMNA
SCHEMBL256210 0.78 SLC9A1 (0.50) SLC9A1KEAP1TLR8KDM4ELMNA
SCHEMBL3806194 0.78 CYP3A4 (0.50) TLR8KDM4ETSHRGRM2HSD17B10
SCHEMBL19008532 0.77 SLC9A1 (0.46) SLC9A1KEAP1KDM4ELMNATSHR
SCHEMBL9534063 0.76 SLC9A1 (0.39) SLC9A1KEAP1KDM4ELMNATSHR
SCHEMBL1965207 0.76 SLC9A1 (0.48) SLC9A1KEAP1KDM4ELMNATSHR
SCHEMBL30929215 0.76 GRM2 (0.62) SLC9A1KEAP1GRM2
SCHEMBL10734042 0.76 SLC9A1 (0.48) SLC9A1KEAP1TLR8KDM4ELMNA
SCHEMBL564689 0.76 POLB (0.48) TLR8KDM4ELMNATSHRGRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6938999-B2 Water base ink for ink-jet recording BROTHER KOGYO KABUSHIKI KAISHA (JP) 2005-09-06 US claimed
US-20040031417-A1 Water base ink for ink-jet recording BROTHER KOGYO KABUSHIKI KAISHA (JP) 2004-02-19 US claimed
US-6648463-B2 Printer with nickel metal or alloy head and ink containing benzotriazole based metal inactivating agent and alkanolamine limiting corrosion; stable, long term jetting operation BROTHER KOGYO KABUSHIKI KAISHA (JP) 2003-11-18 US claimed
US-20030067524-A1 Water base ink for ink-jet recording BROTHER KOGYO KABUSHIKI KAISHA (JP) 2003-04-10 US claimed
US-20240239801-A1 PYRIMIDO[5,4,D]PYRIMIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USES THEREOF Université de Montréal (CA) 2024-07-18 US disclosed
US-20240239801-A1 PYRIMIDO[5,4,D]PYRIMIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USES THEREOF Université de Montréal (CA) 2024-07-18 US disclosed
US-20240217971-A1 PYRIDO[3,2-D]PYRIMIDINE COMPOUNDS USES THEREOF FOR TREATING A PROLIFERATIVE DISEASE Université de Montréal (CA) 2024-07-04 US disclosed
WO-2024077391-A1 THIAZOLO[5,4-D]PYRIMIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USES THEREOF UNIVERSITE DE MONTREAL (CA) 2024-04-18 WO disclosed
EP-3467930-B1 NONAQUEOUS ELECTROLYTE AND NONAQUEOUS SECONDARY BATTERY ASAHI CHEMICAL IND (JP) 2020-05-13 EP disclosed
EP-3467930-A1 NONAQUEOUS ELECTROLYTE AND NONAQUEOUS SECONDARY BATTERY ASAHI KASEI KABUSHIKI KAISHA (JP) 2019-04-10 EP disclosed
US-10037894-B2 Polishing liquid for metal and polishing method HITACHI CHEMICAL COMPANY, LTD. (JP) 2018-07-31 US disclosed
EP-3279997-A1 NONAQUEOUS ELECTROLYTE AND NONAQUEOUS SECONDARY BATTERY Asahi Kasei Kabushiki Kaisha (JP) 2018-02-07 EP disclosed
US-20140370707-A1 POLISHING LIQUID FOR METAL AND POLISHING METHOD RESONAC CORPORATION (JP) 2014-12-18 US disclosed
EP-1607455-B1 Water base ink for ink-jet recording BROTHER IND LTD (JP) 2008-06-11 EP disclosed
EP-1607455-A1 Water base ink for ink-jet recording BROTHER KOGYO KABUSHIKI KAISHA (JP) 2005-12-21 EP disclosed
US-20050275701-A1 Water base ink for ink-jet recording BROTHER KOGYO KABUSHIKI KAISHA (JP) 2005-12-15 US disclosed
US-6938999-B2 Water base ink for ink-jet recording BROTHER KOGYO KABUSHIKI KAISHA (JP) 2005-09-06 US disclosed
US-20040031417-A1 Water base ink for ink-jet recording BROTHER KOGYO KABUSHIKI KAISHA (JP) 2004-02-19 US disclosed
US-6648463-B2 Printer with nickel metal or alloy head and ink containing benzotriazole based metal inactivating agent and alkanolamine limiting corrosion; stable, long term jetting operation BROTHER KOGYO KABUSHIKI KAISHA (JP) 2003-11-18 US disclosed
US-20030067524-A1 Water base ink for ink-jet recording BROTHER KOGYO KABUSHIKI KAISHA (JP) 2003-04-10 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 (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-20240239801-A1 PYRIMIDO[5,4,D]PYRIMIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USES THEREOF NRAS, BRAF, KRAS SLC9A1 2512/4885KEAP1 3052/4885TLR8 2947/4885
US-20240217971-A1 PYRIDO[3,2-D]PYRIMIDINE COMPOUNDS USES THEREOF FOR TREATING A PROLIFERATIVE DISEASE BRAF, NRAS, DPYD SLC9A1 2393/4885KEAP1 2880/4885TLR8 3213/4885

“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.