Sugi Predict

Sugi Predict / Compounds / SCHEMBL3228149

SCHEMBL3228149

SCHEMBL3228149

COC(=O)c1cn(NC(=O)c2cnc(-c3ccccn3)nc2C)c2ccc(F)cc12

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 5/20 0.81
▸ CYP2C9 P11712 2/20 0.43
▸ CYP2C19 P33261 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ TSHR P16473 1/20 0.42
▸ GLA P06280 1/20 0.40
▸ AXL P30530 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ HTT P42858 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ KMT2A Q03164 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ PLA2G2A P14555 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37

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
SCHEMBL3220415 0.91 HPGDS (0.83) HPGDSGLAL3MBTL1KMT2AMEN1
SCHEMBL2474438 0.89 HPGDS (1.00) HPGDSGLAL3MBTL1KMT2AMEN1
SCHEMBL14313336 0.86 HPGDS (0.78) HPGDSGAAGLALMNAHTT
SCHEMBL12084042 0.86 HPGDS (0.81) HPGDSGLAKDM4EL3MBTL1KMT2A
SCHEMBL12084139 0.86 HPGDS (0.81) HPGDSGLAL3MBTL1KMT2AMEN1
SCHEMBL3220632 0.86 HPGDS (0.75) HPGDSGLAHTTSMN1; SMN2L3MBTL1
SCHEMBL3219598 0.84 HPGDS (0.77) HPGDSGLAKDM4EL3MBTL1KMT2A
SCHEMBL12083846 0.83 HPGDS (0.76) HPGDSGLAKMT2AMEN1
SCHEMBL12083895 0.82 HPGDS (0.73) HPGDSGLAKMT2AMEN1
SCHEMBL12083843 0.82 HPGDS (0.74) HPGDSGLAL3MBTL1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101646656-B Pyrimidine hydrazide compounds as PGDS inhibitors SANOFI AVENTIS SPA 2013-08-14 — — CN 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-20100048568-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI-AVENTIS (FR) 2010-02-25 — — US disclosed
CN-101646656-A Pyrimidine hydrazide compounds as the PGDS inhibitor SANOFI AVENTIS FR 2010-02-10 — — CN disclosed
EP-2142516-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS Sanofi-Aventis (FR) 2010-01-13 — — EP 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 10/4885CYP2C9 352/4885CYP2C19 146/4885

“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.