SCHEMBL12083813

SCHEMBL12083813

Cc1nc(-c2ccccn2)ncc1C(=O)Nn1cc(C)c2ccncc21

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 6/20 0.72
▸ S1PR1 P21453 2/20 0.36
▸ S1PR3 Q99500 2/20 0.36
▸ TGFBR1 P36897 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ GLA P06280 1/20 0.36
▸ SLC6A2 P23975 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ F2 P00734 1/20 0.34
▸ F12 P00748 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ TGFBR2 P37173 1/20 0.34
▸ ADORA3 P0DMS8 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
SCHEMBL12083981 0.92 HPGDS (0.75) HPGDSS1PR1S1PR3TGFBR1TSHR
SCHEMBL12084130 0.90 HPGDS (0.61) HPGDSS1PR1S1PR3TGFBR1TSHR
SCHEMBL3213040 0.84 HPGDS (0.66) HPGDSTGFBR1GLAKDM4EGAA
SCHEMBL12083977 0.84 HPGDS (0.79) HPGDSGLAKDM4EGAAF2
SCHEMBL2474438 0.84 HPGDS (1.00) HPGDSGLAF2MEN1KMT2A
SCHEMBL14313203 0.84 HPGDS (0.52) HPGDSKDM4EGAAMEN1KMT2A
SCHEMBL12084132 0.82 HPGDS (0.79) HPGDSGLAF2F12MEN1
SCHEMBL12084155 0.81 HPGDS (0.60) HPGDS
SCHEMBL12084250 0.81 HPGDS (1.00) HPGDSGLAKDM4EGAAF2
SCHEMBL12083862 0.79 HPGDS (1.00) HPGDSKDM4EGAAF2MEN1

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 10/4885S1PR1 529/4885S1PR3 617/4885

“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