SCHEMBL5730847

SCHEMBL5730847

Nc1nc(Cc2ccc3ccccc3c2)nc2c1nc(O)n2Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 6/20 0.43
KMT2A Q03164 1/20 0.42
ADORA1 P30542 5/20 0.42
ADORA2A P29274 3/20 0.42
ADORA3 P0DMS8 1/20 0.42
FBP1 P09467 2/20 0.41
PTPN1 P18031 1/20 0.40
PDE8B O95263 1/20 0.39
ADORA2B P29275 1/20 0.38
SIGMAR1 Q99720 1/20 0.37
MAPK1 P28482 1/20 0.36

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
SCHEMBL5731043 0.89 ADORA1 (0.47) TLR7ADORA1ADORA2AADORA3FBP1
SCHEMBL5732007 0.84 TLR7 (0.44) TLR7ADORA1ADORA2AADORA3PDE8B
SCHEMBL5731972 0.82 TLR7 (0.46) TLR7ADORA1ADORA2APDE8BADORA2B
SCHEMBL5731379 0.82 TLR7 (0.45) TLR7ADORA1ADORA2AADORA2BMAPK1
SCHEMBL2060517 0.82 TLR7 (0.45) TLR7ADORA1ADORA2AADORA2BMAPK1
SCHEMBL5731575 0.81 TLR7 (0.40) TLR7ADORA1ADORA2AADORA3PTPN1
SCHEMBL10174942 0.81 TLR7 (0.49) TLR7KMT2AADORA1ADORA2A
SCHEMBL5731246 0.80 FBP1 (0.44) TLR7KMT2AFBP1PTPN1
SCHEMBL5731872 0.80 TLR7 (0.43) TLR7ADORA1ADORA2AFBP1ADORA2B
SCHEMBL7210306 0.80 NPSR1 (0.39) TLR7KMT2AADORA1ADORA2AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11117863-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients MITSUI CHEMICALS AGRO, INC. (JP) 2021-09-14 US disclosed
US-11000038-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients MITSUI CHEMICALS AGRO, INC. (JP) 2021-05-11 US disclosed
US-20200196600-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS MITSUI CHEMICALS AGRO, INC. (JP) 2020-06-25 US disclosed
US-20200172486-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS MITSUI CHEMICALS AGRO, INC. (JP) 2020-06-04 US disclosed
EP-3636636-A1 PYRIDONE COMPOUND AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE Mitsui Chemicals Agro, Inc. (JP) 2020-04-15 EP disclosed
EP-3611166-A1 PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT Mitsui Chemicals Agro, Inc. (JP) 2020-02-19 EP disclosed
EP-1043021-B1 PURINE DERIVATIVES FOR THE TREATMENT OF ALLERGIC DISEASES AND SYSTEMIC LUPUS ERYTHEMATOSUS DAINIPPON SUMITOMO PHARMA CO (JP) 2006-05-03 EP disclosed
US-20050239656-A1 Pyridine compounds or salts thereof and herbicides containing the same ISHIHARA SANGYO KAISHA, LTD. (JP) 2005-10-27 US disclosed
EP-0882727-B9 NOVEL PURINE DERIVATIVES SUMITOMO PHARMA (JP) 2005-06-15 EP disclosed
EP-1500650-A1 PYRIDINE COMPOUNDS OR SALTS THEREOF AND HERBICIDES CONTAINING THE SAME ISHIHARA SANGYO KAISHA, LTD. (JP) 2005-01-26 EP disclosed
EP-0882727-B1 NOVEL PURINE DERIVATIVES SUMITOMO PHARMA (JP) 2004-12-01 EP disclosed
US-6376501-B1 INHIBITING OR REGULATING IMMUNE RESPONSE USING PURINE-DERIVED COMPOUND; NON-STEROIDAL COMPOUND JAPAN ENERGY CORPORATION (JP) 2002-04-23 US disclosed
EP-1043021-A1 TYPE 2 HELPER T CELL-SELECTIVE IMMUNE RESPONSE SUPPRESSORS Japan Energy Corporation (JP) 2000-10-11 EP disclosed
US-6028076-A FOR INDUCING .ALPHA.-INTERFERON IN A PATIENT HAVING HEPATITIS B OR C, BY ADMINISTERING PURINE DERIVATIVE JAPAN ENERGY CORPORATION (JP) 2000-02-22 US disclosed
EP-0882727-A1 NOVEL PURINE DERIVATIVES JAPAN ENERGY CORPORATION (JP) 1998-12-09 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-20050239656-A1 Pyridine compounds or salts thereof and herbicides containing the same CBR3, CYP2C8, ABCC8 TLR7 340/4885KMT2A 1797/4885ADORA1 1523/4885
US-20200172486-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CBR3, CBR1 TLR7 4064/4885KMT2A 1903/4885ADORA1 315/4885
US-20200196600-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, PDXK, PLPBP TLR7 3753/4885KMT2A 1380/4885ADORA1 86/4885
US-11117863-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, CBR3, CBR1 TLR7 4064/4885KMT2A 1903/4885ADORA1 315/4885
US-11000038-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, PDXK, PLPBP TLR7 3753/4885KMT2A 1380/4885ADORA1 86/4885

“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.