SCHEMBL3220102

SCHEMBL3220102

O=C(Nc1ccc(F)nc1Br)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ MAPT P10636 3/20 0.37
▸ TP53 P04637 3/20 0.37
▸ JAK2 O60674 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ KLK7 P49862 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ HDAC1 Q13547 4/20 0.36
▸ HDAC7 Q8WUI4 4/20 0.36
▸ HDAC8 Q9BY41 4/20 0.36
▸ HDAC6 Q9UBN7 4/20 0.36
▸ PDK1 Q15118 1/20 0.36
▸ PDK2 Q15119 1/20 0.36
▸ PDK3 Q15120 1/20 0.36
▸ PDK4 Q16654 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
SCHEMBL30254529 0.85 CA2 (0.39) CA2SMN1; SMN2MAPTTP53JAK2
SCHEMBL23885406 0.85 CA2 (0.39) CA2SMN1; SMN2MAPTTP53JAK2
SCHEMBL30254414 0.82 CA2 (0.41) CA2SMN1; SMN2MAPTTP53JAK2
SCHEMBL30254317 0.82 SMN1; SMN2 (0.43) CA2SMN1; SMN2MAPTTP53JAK2
SCHEMBL31263190 0.82 SMN1; SMN2 (0.37) CA2SMN1; SMN2MAPTTP53JAK2
SCHEMBL23885291 0.82 CA2 (0.41) CA2SMN1; SMN2MAPTTP53JAK2
SCHEMBL23885689 0.82 SMN1; SMN2 (0.43) CA2SMN1; SMN2MAPTTP53JAK2
SCHEMBL3226137 0.78 CYP1A2 (0.42) SMN1; SMN2MAPTPDK1PDK2PDK3
SCHEMBL1716724 0.77 PDK1 (0.38) CA2SMN1; SMN2MAPTTP53JAK2
SCHEMBL17513278 0.75 AR (0.39) CA2SMN1; SMN2MAPTTP53JAK2

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
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-20100048568-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI-AVENTIS (FR) 2010-02-25 — — US disclosed
EP-2142516-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS Sanofi-Aventis (FR) 2010-01-13 — — EP 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 CA2 2182/4885SMN1; SMN2 4832/4885MAPT 1931/4885

“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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