SCHEMBL12083767

SCHEMBL12083767

CCc1cn(NC(=O)c2cnc(-c3nccs3)nc2C)c2ccc(C(F)(F)F)nc12

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 5/20 0.46
▸ GAA P10253 1/20 0.34
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ NR3C1 P04150 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ PTGDR2 Q9Y5Y4 1/20 0.30
▸ ELANE P08246 1/20 0.30

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
SCHEMBL12084186 0.87 HPGDS (0.58) HPGDSGAANPC1RAB9ALMNA
SCHEMBL14313274 0.86 HPGDS (0.33) HPGDS
SCHEMBL12084154 0.85 HPGDS (0.46) HPGDSGAANPC1RAB9ANR3C1
SCHEMBL12083958 0.84 HPGDS (0.66) HPGDSGAANPC1RAB9ALMNA
SCHEMBL12083758 0.81 HPGDS (0.44) HPGDSELANE
SCHEMBL12084179 0.81 HPGDS (0.49) HPGDSGAALMNA
SCHEMBL12083914 0.77 HPGDS (0.51) HPGDSGAANR3C1
SCHEMBL12083903 0.76 HPGDS (0.53) HPGDSNPC1RAB9ANR3C1
SCHEMBL12084171 0.76 HPGDS (0.44) HPGDSNR3C1
SCHEMBL12084090 0.76 HPGDS (0.70) HPGDSNPC1RAB9A

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 10/4885GAA 1335/4885NPC1 1657/4885

“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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