SCHEMBL12084156

SCHEMBL12084156

CCc1cn(NC(=O)c2cnc(-c3ncccn3)nc2C)c2ccc(OC(F)(F)F)cc12

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 5/20 0.56
▸ ELANE P08246 2/20 0.40
▸ MAPT P10636 2/20 0.39
▸ TP53 P04637 1/20 0.38
▸ PDE2A O00408 2/20 0.36
▸ SCN8A Q9UQD0 1/20 0.35
▸ SCN10A Q9Y5Y9 1/20 0.35
▸ PTGER4 P35408 1/20 0.35
▸ P2RY1 P47900 1/20 0.34
▸ PPARG P37231 1/20 0.34
▸ TRPM8 Q7Z2W7 1/20 0.34

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
SCHEMBL12084153 0.92 HPGDS (0.62) HPGDSELANEMAPTTP53SCN8A
SCHEMBL12083758 0.88 HPGDS (0.44) HPGDSELANEMAPTTP53SCN10A
SCHEMBL12083853 0.88 HPGDS (0.49) HPGDSELANEMAPTTP53
SCHEMBL12083904 0.87 HPGDS (0.61) HPGDS
SCHEMBL12084186 0.80 HPGDS (0.58) HPGDS
SCHEMBL12083840 0.79 HPGDS (0.65) HPGDSTRPM8
SCHEMBL12083836 0.77 HPGDS (0.61) HPGDS
SCHEMBL12083884 0.76 HPGDS (0.82) HPGDS
SCHEMBL12084151 0.75 HPGDS (0.51) HPGDS
SCHEMBL12084154 0.75 HPGDS (0.46) HPGDS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8258130-B2 Pyrimidine hydrazide compounds as PGDS inhibitors SANOFI (FR) 2012-09-04 — — US 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
US-20100048568-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI-AVENTIS (FR) 2010-02-25 — — US 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 10/4885ELANE 2436/4885MAPT 1931/4885

“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.

Send feedback