SCHEMBL3210099

SCHEMBL3210099

Nn1cc(C(F)(F)F)c2ccncc21

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.37
CHUK O15111 1/20 0.36
SCN9A Q15858 2/20 0.36
DYRK1A Q13627 5/20 0.36
NFATC1 O95644 4/20 0.36
GSK3B P49841 4/20 0.36
KDM5A P29375 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
TDO2 P48775 1/20 0.33
RBP4 P02753 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
LATS1 O95835 1/20 0.33
ELANE P08246 1/20 0.32
RORC P51449 1/20 0.32

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
SCHEMBL3219395 0.86 ELANE (0.40) KIF11RBP4KDM4ES1PR1S1PR3
SCHEMBL20674550 0.79 SCN9A (0.39) KIF11CHUKSCN9ADYRK1ANFATC1
SCHEMBL3210094 0.76 ELANE (0.39) SCN9ADYRK1ANFATC1GSK3BRBP4
SCHEMBL3226539 0.76 SCN9A (0.39) KIF11CHUKSCN9ADYRK1ANFATC1
SCHEMBL3216733 0.74 DYRK1A (0.43) DYRK1ANFATC1GSK3BKDM5AMAPT
SCHEMBL3231708 0.72 DYRK1A (0.36) CHUKDYRK1ANFATC1GSK3BTDO2
SCHEMBL20674543 0.70 ELANE (0.44) KIF11SCN9ARBP4KDM4EALDH1A1
Trifluoroacetic Acid SCHEMBL3232865 0.69 KDM5A (0.40) SCN9AKDM5AS1PR1S1PR3LATS1
SCHEMBL3219635 0.69 KDM5A (0.42) SCN9ADYRK1ANFATC1GSK3BKDM5A
SCHEMBL3218061 0.69 DYRK1A (0.43) DYRK1ANFATC1GSK3BKDM5AMAPT

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 KIF11 2924/4885CHUK 1084/4885SCN9A 3307/4885

“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.