SCHEMBL3226961

SCHEMBL3226961

Cc1cn(N)c2ccc(C(F)(F)F)cc12

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 6/20 0.41
SCN2B O60939 2/20 0.38
SCN1B Q07699 2/20 0.38
SCN5A Q14524 2/20 0.38
SCN9A Q15858 2/20 0.38
SCN1A P35498 1/20 0.38
PKM P14618 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
ALDH1A1 P00352 2/20 0.36
PDE2A O00408 2/20 0.35
MAPT P10636 1/20 0.35
KCNH2 Q12809 1/20 0.34
CYP1A2 P05177 1/20 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
SCHEMBL16729369 0.82 HTR1D (0.45) KIF11SCN2BSCN1BSCN5ASCN9A
SCHEMBL3219737 0.80 KCNH2 (0.43) KIF11MEN1KMT2APTGDR2KCNH2
SCHEMBL29712391 0.79 KIF11 (0.39) KIF11SCN2BSCN1BSCN5ASCN9A
SCHEMBL16729368 0.79 PDE4A (0.46) KIF11
SCHEMBL3222225 0.76 KDM4E (0.42) KIF11SCN2BSCN1BSCN5ASCN9A
Hydrochloric Acid SCHEMBL3221823 0.74 KDM4E (0.41) SCN2BSCN1BSCN5ASCN9ASCN1A
SCHEMBL16729581 0.71 KIF11 (0.51) KIF11SCN5ASCN9AMEN1KMT2A
SCHEMBL28942960 0.71 SCN2B (0.43) KIF11SCN2BSCN1BSCN5ASCN9A
SCHEMBL13383054 0.71 KIF11 (0.65) KIF11PKMMEN1KMT2AALDH1A1
SCHEMBL18580687 0.70 SCN2B (0.43) KIF11SCN2BSCN1BSCN5ASCN9A

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 8 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-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 2924/4885SCN2B 4157/4885SCN1B 2932/4885

“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.