SCHEMBL3228253

SCHEMBL3228253

Nn1cc(C(F)(F)F)c2cccnc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.42
MEN1 O00255 1/20 0.38
TNF P01375 1/20 0.38
CXCL8 P10145 1/20 0.38
KMT2A Q03164 1/20 0.38
PAX8 Q06710 1/20 0.38
KLF5 Q13887 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ELANE P08246 4/20 0.37
MAOB P27338 1/20 0.36
EPHX2 P34913 1/20 0.36
CYP17A1 P05093 1/20 0.36
PRKCB P05771 1/20 0.36
GSK3B P49841 1/20 0.36
RORC P51449 2/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.33
BACE1 P56817 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
ATM Q13315 1/20 0.33
SLC40A1 Q9NP59 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
SCHEMBL20674551 0.79 MEN1 (0.40) HTR6MEN1TNFCXCL8KMT2A
SCHEMBL23937871 0.79 DYRK1A (0.46) HTR6MEN1TNFCXCL8KMT2A
SCHEMBL21140257 0.77 HTR6 (0.41) HTR6MEN1TNFCXCL8KMT2A
SCHEMBL3228248 0.76 PARP1 (0.48) HTR6ELANEPRKCBGSK3BRORC
SCHEMBL3222300 0.76 ATM (0.36) HTR6KDM4EELANEATM
SCHEMBL3213880 0.74 SLC6A2 (0.43) KDM4EELANE
SCHEMBL18633919 0.73 ELANE (0.43) HTR6MEN1KMT2AKDM4EELANE
SCHEMBL3221693 0.72 KDM4E (0.36) HTR6MEN1KMT2AKDM4EELANE
SCHEMBL3220696 0.72 MEN1 (0.38) HTR6MEN1TNFCXCL8KMT2A
Trifluoroacetic Acid SCHEMBL3231222 0.69 ATM (0.42) MEN1KMT2AELANEPTGDR2ATM

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 609/4885MEN1 4322/4885TNF 2526/4885

“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.