SCHEMBL3219635

SCHEMBL3219635

CCc1cn(N)c2cnccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 2/20 0.42
SLC6A2 P23975 1/20 0.40
DYRK1A Q13627 6/20 0.39
NFATC1 O95644 3/20 0.39
GSK3B P49841 3/20 0.39
CYP2E1 P05181 3/20 0.37
CYP2C8 P10632 3/20 0.37
CYP2D6 P10635 3/20 0.37
CYP2A6 P11509 3/20 0.37
CYP2B6 P20813 3/20 0.37
CYP2C19 P33261 3/20 0.37
KCNH2 Q12809 3/20 0.37
HTR6 P50406 1/20 0.35
CYP1A2 P05177 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP3A4 P08684 1/20 0.34
KDM4C Q9H3R0 1/20 0.33
HASPIN Q8TF76 1/20 0.33
DAO P14920 1/20 0.33
ADORA3 P0DMS8 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
Trifluoroacetic Acid SCHEMBL3232865 0.87 KDM5A (0.40) KDM5ASLC6A2CNR1CNR2SCN9A
SCHEMBL3216499 0.79 SCN9A (0.39) DYRK1ANFATC1GSK3BKCNH2SCN9A
SCHEMBL3226539 0.79 SCN9A (0.39) DYRK1ANFATC1GSK3BKCNH2SCN9A
SCHEMBL3216733 0.78 DYRK1A (0.43) KDM5ASLC6A2DYRK1ANFATC1GSK3B
SCHEMBL3219630 0.78 KDM5A (0.42) KDM5ASLC6A2DYRK1ANFATC1GSK3B
SCHEMBL3218061 0.72 DYRK1A (0.43) KDM5ADYRK1ANFATC1GSK3BKCNH2
SCHEMBL3231708 0.69 DYRK1A (0.36) DYRK1ANFATC1GSK3BCYP2D6CYP2C19
SCHEMBL3210099 0.69 KIF11 (0.37) KDM5ADYRK1ANFATC1GSK3BKDM4C
SCHEMBL3232861 0.68 KDM5A (0.37) KDM5ASLC6A2CYP2D6CYP2C19CYP1A2
SCHEMBL24556360 0.68 BRD4 (0.50) KDM5ACYP2D6

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 KDM5A 1903/4885SLC6A2 4643/4885DYRK1A 3842/4885

“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.