SCHEMBL12083977

SCHEMBL12083977

Cc1nc(-c2ccccn2)ncc1C(=O)Nn1cc(C)c2ncccc21

nearest known ligand 0.79

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 6/20 0.79
▸ GLA P06280 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ DGAT1 O75907 1/20 0.35
▸ METAP2 P50579 1/20 0.34
▸ METAP1 P53582 1/20 0.34
▸ TRPM8 Q7Z2W7 1/20 0.34
▸ CTSD P07339 1/20 0.34
▸ ELANE P08246 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ F2 P00734 1/20 0.34
▸ PLG P00747 1/20 0.34
▸ F12 P00748 1/20 0.34
▸ PLAU P00749 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
SCHEMBL12084250 0.88 HPGDS (1.00) HPGDSGLAKDM4EGAAMEN1
SCHEMBL12083862 0.87 HPGDS (1.00) HPGDSKDM4EGAAMEN1KMT2A
SCHEMBL3210165 0.84 HPGDS (0.72) HPGDSGLAKDM4EGAAMEN1
SCHEMBL12083813 0.84 HPGDS (0.72) HPGDSGLAKDM4EGAAMEN1
SCHEMBL12083981 0.84 HPGDS (0.75) HPGDSGLAKDM4EGAAMEN1
SCHEMBL14313361 0.83 HPGDS (0.60) HPGDSKDM4EGAAMEN1KMT2A
SCHEMBL3219730 0.82 HPGDS (0.70) HPGDSGLAKDM4EGAAMEN1
SCHEMBL2474438 0.82 HPGDS (1.00) HPGDSGLAMEN1KMT2ACTSD
SCHEMBL12083810 0.82 HPGDS (0.60) HPGDSDGAT1
SCHEMBL3221680 0.81 HPGDS (0.63) HPGDSGLAKDM4EGAAMEN1

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 1529/4885KDM4E 2494/4885

“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