SCHEMBL3220219

SCHEMBL3220219

CC1=C(C(N)=O)c2cc(F)ccc2[N]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 5/20 0.39
PARP1 P09874 1/20 0.36
GRM2 Q14416 2/20 0.35
SCN9A Q15858 1/20 0.34
PPARG P37231 2/20 0.33
DHODH Q02127 1/20 0.33
TGFBR1 P36897 2/20 0.33
RXRA P19793 1/20 0.33
MAP3K14 Q99558 1/20 0.32
PLK4 O00444 1/20 0.32
AURKA O14965 1/20 0.32
MAPK13 O15264 1/20 0.32
DAPK3 O43293 1/20 0.32
ROCK2 O75116 1/20 0.32
CHEK2 O96017 1/20 0.32
CDK1 P06493 1/20 0.32
CSF1R P07333 1/20 0.32
PIM1 P11309 1/20 0.32
FGFR1 P11362 1/20 0.32
PRKACA P17612 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
SCHEMBL3261767 0.82 PARP1 (0.37) SLC9A1PARP1GRM2PLK4AURKA
SCHEMBL3229641 0.81 ALDH1A1 (0.41) SLC9A1PARP1GRM2FGFR1FGFR3
SCHEMBL3231611 0.77 SLC9A1 (0.38) SLC9A1PARP1GRM2SCN9APPARG
SCHEMBL3220244 0.76 GRM2 (0.34) PARP1GRM2DHODHMAP3K14
SCHEMBL3802310 0.76 SCN9A (0.33) PARP1GRM2SCN9APPARGRXRA
SCHEMBL3217914 0.71 GRM2 (0.37) SLC9A1PARP1GRM2SCN9APPARG
SCHEMBL3230779 0.69 PPARG (0.35) SLC9A1PARP1GRM2SCN9APPARG
SCHEMBL3233045 0.69 PARP1 (0.34) SLC9A1PARP1GRM2PLK4AURKA
SCHEMBL3232086 0.68 USP8 (0.35) SLC9A1PARP1GRM2PLK4AURKA
SCHEMBL22444488 0.68 CA9 (0.37) PARP1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2142516-B1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI SA (FR) 2012-12-26 EP claimed
US-8258130-B2 Pyrimidine hydrazide compounds as PGDS inhibitors SANOFI (FR) 2012-09-04 US claimed
US-20100048568-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI-AVENTIS (FR) 2010-02-25 US claimed
EP-2142516-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS Sanofi-Aventis (FR) 2010-01-13 EP claimed
WO-2008121670-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI-AVENTIS (FR) 2008-10-09 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
US-20100048568-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI-AVENTIS (FR) 2010-02-25 US disclosed
EP-2142516-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS Sanofi-Aventis (FR) 2010-01-13 EP 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 SLC9A1 1277/4885PARP1 295/4885GRM2 1211/4885

“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.