SCHEMBL12083840

SCHEMBL12083840

CCc1cn(NC(=O)c2cnc(-c3ccccn3)nc2C)c2ccc(C(F)(F)F)cc12

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 5/20 0.65
▸ GLA P06280 1/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ BRAF P15056 1/20 0.39
▸ TRPV1 Q8NER1 1/20 0.38
▸ PPP1CA P62136 1/20 0.38
▸ METAP1 P53582 1/20 0.38
▸ CYP2C9 P11712 2/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ TLR7 Q9NYK1 1/20 0.37
▸ TRPM8 Q7Z2W7 1/20 0.37
▸ BMX P51813 1/20 0.36
▸ F2 P00734 1/20 0.36
▸ F12 P00748 1/20 0.36
▸ PTGS2 P35354 1/20 0.36
▸ CYP2C8 P10632 1/20 0.36
▸ CYP2B6 P20813 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
SCHEMBL12083904 0.91 HPGDS (0.61) HPGDSBRAFTRPV1BMX
SCHEMBL12084132 0.91 HPGDS (0.79) HPGDSGLAKMT2AMEN1BRAF
SCHEMBL12084153 0.88 HPGDS (0.62) HPGDSGLAKMT2AMEN1CYP2C9
SCHEMBL14313161 0.86 HPGDS (0.48) HPGDSKMT2AMEN1TRPV1PPP1CA
SCHEMBL12083958 0.85 HPGDS (0.66) HPGDSGLAKMT2AMEN1METAP1
SCHEMBL12084154 0.84 HPGDS (0.46) HPGDSBMX
SCHEMBL12084151 0.84 HPGDS (0.51) HPGDSBRAFBMXPTGS2
SCHEMBL12084139 0.83 HPGDS (0.81) HPGDSGLAKMT2AMEN1F2
SCHEMBL12084130 0.83 HPGDS (0.61) HPGDSGLAKMT2AMEN1TRPM8
SCHEMBL12083846 0.82 HPGDS (0.76) HPGDSGLAKMT2AMEN1F2

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 6 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 disclosed
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 10/4885GLA 1529/4885KMT2A 3378/4885

“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.

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