SCHEMBL12083758

SCHEMBL12083758

CCc1cn(NC(=O)c2cnc(-c3nccs3)nc2C)c2ccc(OC(F)(F)F)cc12

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 5/20 0.44
▸ MAPT P10636 1/20 0.37
▸ ABL1 P00519 1/20 0.36
▸ ELANE P08246 2/20 0.35
▸ NTRK1 P04629 5/20 0.35
▸ TP53 P04637 1/20 0.34
▸ SCN3A Q9NY46 1/20 0.33
▸ PTGER4 P35408 1/20 0.33
▸ DHFR P00374 1/20 0.33
▸ KCNA5 P22460 1/20 0.33
▸ SCN10A Q9Y5Y9 1/20 0.33

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
SCHEMBL12084154 0.88 HPGDS (0.46) HPGDS
SCHEMBL12084156 0.88 HPGDS (0.56) HPGDSMAPTELANETP53PTGER4
SCHEMBL12084153 0.85 HPGDS (0.62) HPGDSMAPTABL1ELANETP53
SCHEMBL12083853 0.83 HPGDS (0.49) HPGDSMAPTABL1ELANETP53
SCHEMBL12083767 0.81 HPGDS (0.46) HPGDSELANE
SCHEMBL12083903 0.79 HPGDS (0.53) HPGDS
SCHEMBL12084171 0.78 HPGDS (0.44) HPGDS
SCHEMBL12084090 0.78 HPGDS (0.70) HPGDSDHFR
SCHEMBL14313340 0.77 MAPK9 (0.35) HPGDS
SCHEMBL12083904 0.75 HPGDS (0.61) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 10/4885MAPT 1931/4885ABL1 3612/4885

“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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