SCHEMBL3216733

SCHEMBL3216733

Cc1cn(N)c2cnccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 6/20 0.43
NFATC1 O95644 3/20 0.43
GSK3B P49841 3/20 0.43
HTR6 P50406 1/20 0.41
ADORA3 P0DMS8 2/20 0.41
ADORA2A P29274 1/20 0.41
SLC6A2 P23975 2/20 0.40
KCNH2 Q12809 1/20 0.37
SIRT3 Q9NTG7 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PDPK1 O15530 1/20 0.34
TGFBR1 P36897 1/20 0.34
IKBKE Q14164 1/20 0.34
TBK1 Q9UHD2 1/20 0.34
MAPT P10636 1/20 0.34
KDM5A P29375 1/20 0.33
CYP19A1 P11511 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 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
SCHEMBL3213736 0.84 HTR6 (0.51) DYRK1ANFATC1GSK3BHTR6ADORA3
SCHEMBL12918543 0.80 DYRK1A (0.61) DYRK1ANFATC1GSK3BHTR6ADORA3
SCHEMBL20674502 0.78 ADORA3 (0.43) DYRK1ANFATC1GSK3BHTR6ADORA3
SCHEMBL3218061 0.78 DYRK1A (0.43) DYRK1ANFATC1GSK3BADORA3ADORA2A
SCHEMBL3219635 0.78 KDM5A (0.42) DYRK1ANFATC1GSK3BHTR6ADORA3
SCHEMBL27124825 0.76 DYRK1A (0.44) DYRK1ANFATC1GSK3BHTR6ADORA3
SCHEMBL12889390 0.76 DYRK1A (0.64) DYRK1ANFATC1GSK3BHTR6ADORA3
SCHEMBL3216732 0.75 SIRT3 (0.45) DYRK1ANFATC1GSK3BHTR6ADORA3
SCHEMBL3231708 0.74 DYRK1A (0.36) DYRK1ANFATC1GSK3BKCNH2MAPT
SCHEMBL3210099 0.74 KIF11 (0.37) DYRK1ANFATC1GSK3BMAPTKDM5A

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 11 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-2411398-B1 METHOD FOR MANUFACTURING A BORONIC ACID ESTER COMPOUND SUMITOMO CHEMICAL CO (JP) 2014-12-17 EP disclosed
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 DYRK1A 3842/4885NFATC1 1433/4885GSK3B 1912/4885

“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.