SCHEMBL3216600

SCHEMBL3216600

CC(C)c1cn(N)c2ccncc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 3/20 0.36
NFATC1 O95644 2/20 0.36
GSK3B P49841 2/20 0.36
HTR6 P50406 1/20 0.35
KCNH2 Q12809 2/20 0.34
PIK3CD O00329 1/20 0.34
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
HTR2B P41595 2/20 0.33
RPS6KA3 P51812 1/20 0.33
MAOA P21397 4/20 0.32
MAOB P27338 4/20 0.32
ACHE P22303 1/20 0.32
CDC7 O00311 4/20 0.32
CDK2 P24941 4/20 0.32
HTT P42858 2/20 0.31
USP2 O75604 1/20 0.31
NCOA1 Q15788 1/20 0.31
NCOA3 Q9Y6Q9 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL3218061 0.86 DYRK1A (0.43) DYRK1ANFATC1GSK3BKCNH2PIK3CD
SCHEMBL3226981 0.83 HTR6 (0.32) DYRK1ANFATC1GSK3BHTR6MAOA
SCHEMBL24654861 0.81 DYRK1A (0.44) DYRK1ANFATC1GSK3BKCNH2RPS6KA3
SCHEMBL24117379 0.79 NFATC1 (0.50) DYRK1ANFATC1GSK3B
SCHEMBL3213736 0.78 HTR6 (0.51) DYRK1ANFATC1GSK3BHTR6MAOA
SCHEMBL3216594 0.76 ELANE (0.39) DYRK1ANFATC1GSK3BHTR6KCNH2
SCHEMBL23685904 0.74 IDO1 (0.42) KCNH2HTR2AHTTKDM4EPOLB
SCHEMBL20788039 0.74 KCNH2 (0.51) DYRK1AKCNH2HTR2CCDK2USP2
SCHEMBL25769980 0.70 KCNH2 (0.40) KCNH2HTT
SCHEMBL16019431 0.70 DYRK1A (0.56) DYRK1ANFATC1GSK3BKCNH2RPS6KA3

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 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.