SCHEMBL12083682

SCHEMBL12083682

CS(=O)(=O)c1ccc2ccn(NC(=O)c3cnc(-c4cccc(F)c4)nc3)c2c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 3/20 0.43
▸ PTGS2 P35354 6/20 0.40
▸ SCD O00767 1/20 0.39
▸ PTGS1 P23219 2/20 0.38
▸ PLK4 O00444 4/20 0.38
▸ VNN1 O95497 1/20 0.37
▸ MET P08581 2/20 0.37
▸ ESR1 P03372 1/20 0.36
▸ ESRRG P62508 1/20 0.36
▸ 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 0.35

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
SCHEMBL12083762 0.92 HPGDS (0.43) HPGDSPTGS2SCDPTGS1PLK4
SCHEMBL14312803 0.87 MET (0.39) HPGDSPTGS2SCDPTGS1PLK4
SCHEMBL3219997 0.84 HPGDS (0.41) HPGDSMET
SCHEMBL3232257 0.82 HPGDS (0.41) HPGDSMET
SCHEMBL12083923 0.81 HPGDS (0.54) HPGDSPTGS2SCDPLK4PAK4
SCHEMBL14312907 0.79 PTGS2 (0.39) HPGDSPTGS2SCDPTGS1PLK4
SCHEMBL3226747 0.77 HPGDS (0.43) HPGDS
SCHEMBL12084011 0.77 CYP11B1 (0.43) PTGS2PTGS1VNN1
SCHEMBL3217942 0.76 JAK2 (0.41) HPGDS
SCHEMBL3219716 0.76 GRIN2B (0.41) HPGDS

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 10/4885PTGS2 129/4885SCD 4301/4885

“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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