SCHEMBL3226977

SCHEMBL3226977

NC(=O)n1cc(C(F)F)c2cnccc21

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ELANE P08246 6/20 0.39
CFD P00746 6/20 0.35
HTT P42858 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HDAC8 Q9BY41 1/20 0.32
SIRT3 Q9NTG7 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HTR6 P50406 1/20 0.32
CYP2A6 P11509 1/20 0.31
CDC7 O00311 1/20 0.31
CDK2 P24941 1/20 0.31
CCNC P24863 1/20 0.31
CDK8 P49336 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
SCHEMBL3231704 0.88 ELANE (0.39) ELANECFDHTTSIRT3TDP1
SCHEMBL3216594 0.85 ELANE (0.39) ELANECFDHTTKDM4EHDAC8
SCHEMBL3213065 0.79 ELANE (0.37) ELANECFDHTTKDM4EHDAC8
SCHEMBL3228137 0.77 HTR6 (0.48) ELANECFDHTTKDM4ESIRT3
SCHEMBL3219392 0.77 ELANE (0.45) ELANECFD
SCHEMBL3226981 0.76 HTR6 (0.32) HTTKDM4EHTR6CDC7CDK2
SCHEMBL3218054 0.73 DYRK1A (0.41) ELANEHTTSIRT3TDP1CDC7
SCHEMBL3219724 0.73 ELANE (0.37) ELANECFDHTTHTR6
SCHEMBL3221687 0.71 PARP1 (0.48) ELANEKDM4E
SCHEMBL3216995 0.71 PARP1 (0.41) ELANECFDKDM4E

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 ELANE 2436/4885CFD 333/4885HTT 2449/4885

“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.