SCHEMBL12084130

SCHEMBL12084130

CCc1cn(NC(=O)c2cnc(-c3ccccn3)nc2C)c2cnccc12

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 6/20 0.61
▸ TRPM8 Q7Z2W7 1/20 0.40
▸ TGFBR1 P36897 2/20 0.36
▸ TGFBR2 P37173 1/20 0.36
▸ GLA P06280 1/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ S1PR1 P21453 2/20 0.35
▸ S1PR3 Q99500 2/20 0.35
▸ PDE2A O00408 1/20 0.35
▸ PDE10A Q9Y233 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ TSHR P16473 1/20 0.34
▸ ROCK2 O75116 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL12083813 0.90 HPGDS (0.72) HPGDSTGFBR1TGFBR2GLAKDM4E
SCHEMBL12083971 0.85 HPGDS (0.58) HPGDSTRPM8GLAL3MBTL1KDM4E
SCHEMBL14312693 0.85 HPGDS (0.46) HPGDSTRPM8L3MBTL1KDM4EALDH1A1
SCHEMBL12083981 0.84 HPGDS (0.75) HPGDSTGFBR1TGFBR2GLAKDM4E
SCHEMBL12083840 0.83 HPGDS (0.65) HPGDSTRPM8GLAMEN1KMT2A
SCHEMBL12083974 0.82 HPGDS (0.51) HPGDSROCK2
SCHEMBL3213040 0.82 HPGDS (0.66) HPGDSTGFBR1TGFBR2GLAL3MBTL1
SCHEMBL12083983 0.81 HPGDS (0.66) HPGDSTRPM8GLAPDE2APDE10A
SCHEMBL12084153 0.81 HPGDS (0.62) HPGDSTRPM8GLAMEN1KMT2A
SCHEMBL12083958 0.80 HPGDS (0.66) HPGDSTRPM8GLAKDM4EMEN1

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 10/4885TRPM8 1847/4885TGFBR1 195/4885

“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