SCHEMBL12084096

SCHEMBL12084096

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

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 6/20 0.62
▸ SCN9A Q15858 4/20 0.41
▸ SCN2B O60939 3/20 0.41
▸ SCN1B Q07699 3/20 0.41
▸ SCN5A Q14524 3/20 0.41
▸ SCN1A P35498 2/20 0.41
▸ PTGS2 P35354 4/20 0.38
▸ PLK4 O00444 4/20 0.38
▸ PAK4 O96013 1/20 0.36
▸ NTRK1 P04629 1/20 0.36
▸ PTK2 Q05397 1/20 0.36
▸ TBK1 Q9UHD2 1/20 0.36
▸ SLC6A9 P48067 1/20 0.36
▸ SCD O00767 1/20 0.35

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
SCHEMBL12083584 0.91 HPGDS (0.74) HPGDSSCN9ASCN2BSCN1BSCN5A
SCHEMBL12084086 0.86 HPGDS (0.62) HPGDSSCN9ASCN2BSCN1BSCN5A
SCHEMBL12083923 0.86 HPGDS (0.54) HPGDSPTGS2PLK4PAK4NTRK1
SCHEMBL14313075 0.86 HPGDS (0.46) HPGDSSCN9ASCN2BSCN1BSCN5A
SCHEMBL12083808 0.85 HPGDS (0.63) HPGDS
SCHEMBL3226414 0.83 HPGDS (0.59) HPGDSSCN9ASCN2BSCN1BSCN5A
SCHEMBL12084155 0.83 HPGDS (0.60) HPGDS
SCHEMBL3226638 0.83 HPGDS (0.58) HPGDSSCN9ASCN2BSCN1BSCN5A
SCHEMBL12084176 0.82 HPGDS (0.70) HPGDS
SCHEMBL3217969 0.82 HPGDS (0.61) HPGDSSCN9A

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 10/4885SCN9A 3307/4885SCN2B 4157/4885

“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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