SCHEMBL3221628

SCHEMBL3221628

COc1ccc(-c2ncc(C(=O)O)cn2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.60
CA2 P00918 1/20 0.60
CHEK1 O14757 1/20 0.58
CLK4 Q9HAZ1 1/20 0.56
RXFP1 Q9HBX9 1/20 0.55
MAP4K4 O95819 1/20 0.54
EGLN1 Q9GZT9 1/20 0.54
NR4A2 P43354 1/20 0.53
CSNK2A2 P19784 3/20 0.50
CSNK2A1 P68400 3/20 0.50
ALDH1A1 P00352 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
POLB P06746 1/20 0.50
MEN1 O00255 1/20 0.50
HTT P42858 1/20 0.50
KMT2A Q03164 1/20 0.50
RXRA P19793 1/20 0.50
P4HTM Q9NXG6 1/20 0.49

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
SCHEMBL29049636 0.84 XDH (0.56) ALDH1A1SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL3230714 0.84 CA1 (0.61) CA1CA2CLK4RXFP1ALDH1A1
SCHEMBL29738264 0.81 RXFP1 (0.77) CA1CA2CHEK1RXFP1MAP4K4
SCHEMBL4228868 0.81 RXFP1 (0.77) CA1CA2CHEK1RXFP1MAP4K4
SCHEMBL11615110 0.80 NPC1 (0.67) ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL3221686 0.80 DYRK1A (0.63) CLK4EGLN1CSNK2A2ALDH1A1SMN1; SMN2
SCHEMBL27773674 0.79 ALDH1A1 (0.56) MAP4K4ALDH1A1SMN1; SMN2RXRAP4HTM
Hydrochloric Acid SCHEMBL11616642 0.79 NPC1 (0.65) ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL2043183 0.79 CA1 (0.87) CA1CA2CHEK1MAP4K4NR4A2
P-Anisic Acid SCHEMBL846287 0.78 CA1 (0.95) CA1CA2CHEK1ALDH1A1SMN1; SMN2

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 10 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 claimed
US-8258130-B2 Pyrimidine hydrazide compounds as PGDS inhibitors SANOFI (FR) 2012-09-04 US claimed
US-20100048568-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI-AVENTIS (FR) 2010-02-25 US claimed
EP-2142516-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS Sanofi-Aventis (FR) 2010-01-13 EP claimed
WO-2008121670-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI-AVENTIS (FR) 2008-10-09 WO claimed
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 CA1 3848/4885CA2 2182/4885CHEK1 2118/4885

“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.