SCHEMBL3219730

SCHEMBL3219730

Cc1nc(-c2ccccn2)ncc1C(=O)Nn1ccc2ncccc21

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 6/20 0.70
▸ GLA P06280 1/20 0.37
▸ CTSD P07339 1/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ GAA P10253 1/20 0.36
▸ TGFBR1 P36897 1/20 0.36
▸ PDE2A O00408 1/20 0.36
▸ PDE10A Q9Y233 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ ADORA3 P0DMS8 1/20 0.35
▸ DGAT1 O75907 1/20 0.35
▸ METAP2 P50579 1/20 0.35
▸ METAP1 P53582 1/20 0.35
▸ TRPM8 Q7Z2W7 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ HSD17B10 Q99714 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
SCHEMBL3210165 0.89 HPGDS (0.72) HPGDSGLACTSDKDM4EGAA
SCHEMBL3224764 0.84 HPGDS (0.55) HPGDSPDE2AKMT2ADGAT1ALDH1A1
SCHEMBL3213040 0.84 HPGDS (0.66) HPGDSGLAKDM4EGAATGFBR1
SCHEMBL3221680 0.84 HPGDS (0.63) HPGDSGLAKDM4EGAAMEN1
SCHEMBL3213062 0.84 HPGDS (0.80) HPGDSGLAKDM4EGAATGFBR1
SCHEMBL14312911 0.83 HPGDS (0.50) HPGDSKDM4EGAAMEN1KMT2A
SCHEMBL12083977 0.82 HPGDS (0.79) HPGDSGLACTSDKDM4EGAA
SCHEMBL12083843 0.82 HPGDS (0.74) HPGDSGLACTSDMEN1KMT2A
SCHEMBL3213787 0.81 HPGDS (0.56) HPGDSDGAT1
SCHEMBL12083729 0.81 HPGDS (0.65) HPGDSCTSDMEN1KMT2AADORA3

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 12 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-B1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI SA (FR) 2012-12-26 — — EP disclosed
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-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
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 1529/4885CTSD 301/4885

“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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