SCHEMBL12083871

SCHEMBL12083871

Cc1cn(NC(=O)c2cnc(-c3cccc(C(F)F)c3)nc2)c2ccc(F)cc12

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 2/20 0.53
GRIN2B Q13224 10/20 0.40
ELANE P08246 6/20 0.37
GRIN1 Q05586 2/20 0.37
RAF1 P04049 1/20 0.36
BRAF P15056 1/20 0.36
SCN2B O60939 1/20 0.36
SCN1A P35498 1/20 0.36
SCN1B Q07699 1/20 0.36
SCN5A Q14524 1/20 0.36
SCN9A Q15858 1/20 0.36

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
SCHEMBL12083571 0.90 HPGDS (0.58) HPGDSGRIN2BSCN2BSCN1ASCN1B
SCHEMBL14313000 0.87 HPGDS (0.48) HPGDSGRIN2BELANEGRIN1SCN2B
SCHEMBL12084264 0.85 HPGDS (0.53) HPGDSGRIN2BSCN2BSCN1ASCN1B
SCHEMBL12083580 0.83 HPGDS (0.58) HPGDSSCN2BSCN1BSCN9A
SCHEMBL3227794 0.83 HPGDS (0.66) HPGDSSCN2BSCN1ASCN1BSCN5A
SCHEMBL12083696 0.79 HPGDS (0.78) HPGDSSCN2BSCN1ASCN1BSCN5A
SCHEMBL12083584 0.78 HPGDS (0.74) HPGDSSCN2BSCN1ASCN1BSCN5A
SCHEMBL14313139 0.77 HPGDS (0.52) HPGDSSCN2BSCN1ASCN1BSCN5A
SCHEMBL12083828 0.76 HPGDS (0.55) HPGDSSCN2BSCN1ASCN1BSCN5A
SCHEMBL12083557 0.76 HPGDS (0.46) HPGDSSCN2BSCN1ASCN1BSCN5A

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 10/4885GRIN2B 770/4885ELANE 2436/4885

“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.