SCHEMBL3213736

SCHEMBL3213736

Cc1cn(N)c2ccncc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.51
SLC6A2 P23975 1/20 0.37
SIRT3 Q9NTG7 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NFATC1 O95644 2/20 0.36
GSK3B P49841 2/20 0.36
DYRK1A Q13627 2/20 0.36
MAOA P21397 4/20 0.35
MAOB P27338 4/20 0.35
ACHE P22303 1/20 0.35
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
HTT P42858 1/20 0.34
RAD52 P43351 1/20 0.34
ATM Q13315 1/20 0.34
TOP2A P11388 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
ADORA2A P29274 1/20 0.34
CDC7 O00311 2/20 0.34
CDK2 P24941 2/20 0.34

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
SCHEMBL3216733 0.84 DYRK1A (0.43) HTR6SLC6A2SIRT3TDP1NFATC1
SCHEMBL13041963 0.80 HTR6 (0.48) HTR6SLC6A2NFATC1GSK3BDYRK1A
SCHEMBL22415816 0.78 HTR6 (0.47) HTR6SLC6A2NFATC1GSK3BDYRK1A
SCHEMBL20674513 0.78 HTR6 (0.47) HTR6SLC6A2SIRT3TDP1NFATC1
SCHEMBL3216600 0.78 DYRK1A (0.36) HTR6NFATC1GSK3BDYRK1AMAOA
SCHEMBL24254135 0.76 HTR6 (0.44) HTR6SLC6A2NFATC1GSK3BDYRK1A
SCHEMBL22446399 0.76 NFATC1 (0.51) HTR6NFATC1GSK3BDYRK1AHTT
SCHEMBL3228137 0.75 HTR6 (0.48) HTR6SLC6A2SIRT3TDP1KDM4E
SCHEMBL3226981 0.74 HTR6 (0.32) HTR6NFATC1GSK3BDYRK1AMAOA
SCHEMBL3219395 0.74 ELANE (0.40) HTR6MAOAMAOBACHEKDM4E

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 HTR6 609/4885SLC6A2 4643/4885SIRT3 503/4885

“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.