SCHEMBL3226414

SCHEMBL3226414

Cc1nc(-c2cccc(F)c2)ncc1C(=O)Nn1cc(S(=O)(=O)O)c2cc(F)ccc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 7/20 0.59
CSNK1D P48730 1/20 0.35
MAP4K4 O95819 1/20 0.35
DGAT1 O75907 1/20 0.35
GRM5 P41594 2/20 0.34
SCN9A Q15858 2/20 0.34
SCN2B O60939 1/20 0.34
SCN1A P35498 1/20 0.34
SCN1B Q07699 1/20 0.34
SCN5A Q14524 1/20 0.34
SLC9A1 P19634 1/20 0.34
WNT3A P56704 1/20 0.34
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
PTGDR2 Q9Y5Y4 2/20 0.33

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
SCHEMBL3226638 0.92 HPGDS (0.58) HPGDSCSNK1DMAP4K4DGAT1GRM5
SCHEMBL12083725 0.91 HPGDS (0.61) HPGDSCSNK1DMAP4K4DGAT1GRM5
SCHEMBL3223444 0.91 HPGDS (0.58) HPGDSCSNK1DMAP4K4DGAT1GRM5
SCHEMBL12083584 0.88 HPGDS (0.74) HPGDSCSNK1DMAP4K4DGAT1SCN9A
SCHEMBL3217969 0.86 HPGDS (0.61) HPGDSCSNK1DMAP4K4DGAT1SCN9A
SCHEMBL3220072 0.86 HPGDS (0.52) HPGDSDGAT1MEN1LMNAMAPT
SCHEMBL3222021 0.86 HPGDS (0.60) HPGDSCSNK1DMAP4K4DGAT1WNT3A
SCHEMBL12083747 0.85 HPGDS (0.56) HPGDSCSNK1DMAP4K4DGAT1WNT3A
SCHEMBL3231354 0.84 HPGDS (0.57) HPGDSCSNK1DMAP4K4DGAT1WNT3A
SCHEMBL3230683 0.84 HPGDS (0.48) HPGDSDGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2160380-A1 CYANO-GUANIDINE DERIVATIVES AS GLUTAMINYL CYCLASE INHIBITORS Probiodrug AG (DE) 2010-03-10 EP claimed
EP-2146968-A1 UREA DERIVATIVES AS GLUTAMINYL CYCLASE INHIBITORS Probiodrug AG (DE) 2010-01-27 EP claimed
EP-2142514-A1 THIOUREA DERIVATIVES AS GLUTAMINYL CYCLASE INHIBITORS Probiodrug AG (DE) 2010-01-13 EP claimed
EP-2142513-A1 NITROVINYL-DIAMINE DERIVATIVES AS GLUTAMINYL CYCLASE INHIBITORS Probiodrug AG (DE) 2010-01-13 EP claimed
WO-2008128981-A1 NITROVINYL-DIAMINE DERIVATIVES AS GLUTAMINYL CYCLASE INHIBITORS PROBIODRUG AG (DE) 2008-10-30 WO claimed
WO-2008128983-A1 CYANO-GUANIDINE DERIVATIVES AS GLUTAMINYL CYCLASE INHIBITORS PROBIODRUG AG (DE) 2008-10-30 WO claimed
WO-2008128985-A1 THIOUREA DERIVATIVES AS GLUTAMINYL CYCLASE INHIBITORS PROBIODRUG AG (DE) 2008-10-30 WO claimed
WO-2008128986-A1 UREA DERIVATIVES AS GLUTAMINYL CYCLASE INHIBITORS PROBIODRUG AG (DE) 2008-10-30 WO claimed
EP-2142516-B1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI SA (FR) 2012-12-26 EP disclosed
US-8258130-B2 Pyrimidine hydrazide compounds as PGDS inhibitors SANOFI (FR) 2012-09-04 US disclosed
EP-2160380-A1 CYANO-GUANIDINE DERIVATIVES AS GLUTAMINYL CYCLASE INHIBITORS Probiodrug AG (DE) 2010-03-10 EP disclosed
US-20100048568-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI-AVENTIS (FR) 2010-02-25 US disclosed
EP-2146968-A1 UREA DERIVATIVES AS GLUTAMINYL CYCLASE INHIBITORS Probiodrug AG (DE) 2010-01-27 EP disclosed
EP-2142514-A1 THIOUREA DERIVATIVES AS GLUTAMINYL CYCLASE INHIBITORS Probiodrug AG (DE) 2010-01-13 EP disclosed
EP-2142516-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS Sanofi-Aventis (FR) 2010-01-13 EP disclosed
WO-2008128983-A1 CYANO-GUANIDINE DERIVATIVES AS GLUTAMINYL CYCLASE INHIBITORS PROBIODRUG AG (DE) 2008-10-30 WO disclosed
WO-2008128985-A1 THIOUREA DERIVATIVES AS GLUTAMINYL CYCLASE INHIBITORS PROBIODRUG AG (DE) 2008-10-30 WO disclosed
WO-2008128981-A1 NITROVINYL-DIAMINE DERIVATIVES AS GLUTAMINYL CYCLASE INHIBITORS PROBIODRUG AG (DE) 2008-10-30 WO disclosed
WO-2008128986-A1 UREA DERIVATIVES AS GLUTAMINYL CYCLASE INHIBITORS PROBIODRUG AG (DE) 2008-10-30 WO disclosed
WO-2008121670-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI-AVENTIS (FR) 2008-10-09 WO 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-20100048568-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS HRH2, HRH1, HRH4 HPGDS 10/4885CSNK1D 1144/4885MAP4K4 2134/4885

“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.