SCHEMBL12083882

SCHEMBL12083882

Cc1nc(-c2cccc(F)c2)ncc1C(=O)Nn1cc(CCC(C)(C)O)c2cc(F)ccc21

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 7/20 0.55
▸ CSNK1D P48730 1/20 0.37
▸ WNT3A P56704 1/20 0.35
▸ MAP4K4 O95819 1/20 0.34
▸ IRAK1 P51617 2/20 0.33
▸ MAPK14 Q16539 1/20 0.33
▸ IRAK4 Q9NWZ3 1/20 0.33
▸ ICMT O60725 1/20 0.33
▸ DGAT1 O75907 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ GRIN2B Q13224 1/20 0.32

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
SCHEMBL12083747 0.92 HPGDS (0.56) HPGDSCSNK1DWNT3AMAP4K4ICMT
SCHEMBL12083836 0.90 HPGDS (0.61) HPGDSMAPK14
SCHEMBL12083895 0.87 HPGDS (0.73) HPGDS
SCHEMBL14312968 0.87 HPGDS (0.40) HPGDSCSNK1DWNT3AIRAK1IRAK4
SCHEMBL12084004 0.85 HPGDS (0.55) HPGDSCSNK1DWNT3AGRIN2B
SCHEMBL12083903 0.85 HPGDS (0.53) HPGDS
SCHEMBL12083584 0.84 HPGDS (0.74) HPGDSCSNK1DWNT3AMAP4K4DGAT1
SCHEMBL3217969 0.83 HPGDS (0.61) HPGDSCSNK1DWNT3AMAP4K4DGAT1
SCHEMBL12084151 0.83 HPGDS (0.51) HPGDSCSNK1DICMTGRIN2B
SCHEMBL3231354 0.83 HPGDS (0.57) HPGDSCSNK1DWNT3AMAP4K4DGAT1

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 10/4885CSNK1D 1144/4885WNT3A 2341/4885

“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