SCHEMBL3220693

SCHEMBL3220693

NC(=O)n1cc(C(F)(F)F)c2ncccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.41
RORC P51449 4/20 0.41
S1PR1 P21453 1/20 0.39
S1PR3 Q99500 1/20 0.39
ELANE P08246 3/20 0.39
GAA P10253 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.36
TNF P01375 1/20 0.36
CXCL8 P10145 1/20 0.36
KMT2A Q03164 1/20 0.36
PAX8 Q06710 1/20 0.36
KLF5 Q13887 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.36
RPS6KB1 P23443 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
HSD11B1 P28845 1/20 0.35
COMT P21964 1/20 0.35

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
SCHEMBL3223469 0.79 PARP1 (0.38) PARP1RORCELANEKDM4EADORA2A
SCHEMBL3223274 0.78 PARP1 (0.45) PARP1ELANEKDM4EADORA2ACOMT
SCHEMBL3216995 0.77 PARP1 (0.41) PARP1RORCELANEKDM4E
SCHEMBL3228248 0.77 PARP1 (0.48) PARP1RORCELANE
SCHEMBL3220696 0.76 MEN1 (0.38) RORCS1PR1S1PR3KDM4EMEN1
SCHEMBL20674542 0.76 MEN1 (0.40) RORCS1PR1S1PR3KDM4EMEN1
SCHEMBL6644401 0.76 KDM4E (0.46) PARP1ELANEKDM4EKMT2A
SCHEMBL3228768 0.73 PARP1 (0.38) PARP1ELANEKDM4E
SCHEMBL6216786 0.72 PARP1 (0.53) PARP1ELANEKDM4E
SCHEMBL3210094 0.71 ELANE (0.39) RORCS1PR1S1PR3ELANETRPV1

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 PARP1 295/4885RORC 284/4885S1PR1 529/4885

“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.