SCHEMBL3103990

SCHEMBL3103990

CC(C)CC(C)c1sccc1NC(=O)c1cn(C)nc1C(F)F

nearest known ligand 0.73

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 16/20 0.37
ATM Q13315 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
SCHEMBL13851050 0.89 ATM (0.37) IRAK4ATM
SCHEMBL3118649 0.88 IRAK4 (0.36) IRAK4ATM
SCHEMBL442079 0.86 ATM (0.51) IRAK4ATM
Penthiopyrad SCHEMBL18701 0.84 LMNA (0.51) IRAK4
Penthiopyrad SCHEMBL14364841 0.84 LMNA (0.51) IRAK4
Penthiopyrad SCHEMBL14364842 0.84 LMNA (0.51) IRAK4
SCHEMBL3113328 0.82 LMNA (0.32) IRAK4
Penthiopyrad SCHEMBL22556056 0.82 LMNA (0.51) IRAK4
SCHEMBL3114583 0.81 IRAK4 (0.42) IRAK4
SCHEMBL273301 0.81 ATM (0.45) IRAK4ATM

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-20160227778-A1 SEED DRESSING FOR CONTROLLING PHYTOPATHOGENIC FUNGI BAYER IP GMBH (DE) 2016-08-11 US disclosed
US-20160227778-A1 SEED DRESSING FOR CONTROLLING PHYTOPATHOGENIC FUNGI BAYER IP GMBH (DE) 2016-08-11 US disclosed
US-8575064-B2 Synergistic fungicidal active substance combinations BAYER CROPSCIENCE AG (DE) 2013-11-05 US disclosed
US-20130281496-A1 Synergistic Fungicidal Active Substance Combinations WACHENDORFF-NEUMANN ULRIKE (DE) 2013-10-24 US disclosed
US-20130281292-A1 Synergistic Fungicidal Active Substance Combinations WACHENDORFF-NEUMANN ULRIKE (DE) 2013-10-24 US disclosed
US-20130281500-A1 Synergistic Fungicidal Active Substance Combinations WACHENDORFF-NEUMANN ULRIKE (DE) 2013-10-24 US disclosed
US-20130274100-A1 Synergistic Fungicidal Active Substance Combinations WACHENDORFF-NEUMANN ULRIKE (DE) 2013-10-17 US disclosed
US-20130274099-A1 Synergistic Fungicidal Active Substance Combinations WACHENDORFF-NEUMANN ULRIKE (DE) 2013-10-17 US disclosed
US-20130274101-A1 Synergistic Fungicidal Active Substance Combinations WACHENDORFF-NEUMANN ULRIKE (DE) 2013-10-17 US disclosed
US-20100273648-A1 Synergistic Fungicidal Active Substance Combinations BAYER CROPSCIENCE AG (DE) 2010-10-28 US disclosed
EP-1796465-B9 FUNGICIDAL MIXTURES OF THIOPHENE DERIVATIVE DU PONT (US) 2010-02-17 EP disclosed
EP-1796465-B1 FUNGICIDAL MIXTURES OF THIOPHENE DERIVATIVE DU PONT (US) 2008-09-17 EP disclosed
US-20080139389-A1 Seed Dressing for Controlling Phytopathogenic Fungi BAYER INTELLECTUAL PROPERTY GMBH (DE) 2008-06-12 US disclosed
US-20080139389-A1 Seed Dressing for Controlling Phytopathogenic Fungi BAYER INTELLECTUAL PROPERTY GMBH (DE) 2008-06-12 US disclosed
US-20080139389-A1 Seed Dressing for Controlling Phytopathogenic Fungi BAYER INTELLECTUAL PROPERTY GMBH (DE) 2008-06-12 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 (9 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-20130281496-A1 Synergistic Fungicidal Active Substance Combinations GLRA1, GRM1, CYP1A2 IRAK4 3944/4885ATM 4508/4885
US-20100273648-A1 Synergistic Fungicidal Active Substance Combinations GLRA1, GRM1, CYP1A2 IRAK4 3944/4885ATM 4508/4885
US-20130281500-A1 Synergistic Fungicidal Active Substance Combinations CAT, CYP1A2, GABBR1 IRAK4 4099/4885ATM 4446/4885
US-20160227778-A1 SEED DRESSING FOR CONTROLLING PHYTOPATHOGENIC FUNGI DPM1, MGAM, SUCLG1 IRAK4 3605/4885ATM 4765/4885
US-20130274100-A1 Synergistic Fungicidal Active Substance Combinations GLRA1, GRM1, CYP1A2 IRAK4 3944/4885ATM 4508/4885
US-20080139389-A1 Seed Dressing for Controlling Phytopathogenic Fungi DPM1, MGAM, SUCLG1 IRAK4 3605/4885ATM 4765/4885
US-20130274099-A1 Synergistic Fungicidal Active Substance Combinations GLRA1, GRM1, CYP1A2 IRAK4 3944/4885ATM 4508/4885
US-20130274101-A1 Synergistic Fungicidal Active Substance Combinations GLRA1, GRM1, CYP1A2 IRAK4 3944/4885ATM 4508/4885
US-20130281292-A1 Synergistic Fungicidal Active Substance Combinations GLRA1, GRM1, CYP1A2 IRAK4 3944/4885ATM 4508/4885

“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.