SCHEMBL5026264

SCHEMBL5026264

N#C/C=C(/N)c1ccncc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.60
KDM4E B2RXH2 2/20 0.41
NAPRT Q6XQN6 1/20 0.37
NEK2 P51955 1/20 0.37
PLK1 P53350 1/20 0.37
CYP2D6 P10635 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C19 P33261 2/20 0.36
MPO P05164 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
CYP2A6 P11509 1/20 0.36
CA1 P00915 1/20 0.35
CA9 Q16790 1/20 0.35
POLB P06746 1/20 0.35
ALDH1A1 P00352 3/20 0.34
PLG P00747 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 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
SCHEMBL17610285 1.00 RECQL (0.60) RECQLKDM4ENAPRTNEK2PLK1
SCHEMBL5026268 1.00 RECQL (0.60) RECQLKDM4ENAPRTNEK2PLK1
SCHEMBL28990052 0.84 RECQL (0.79) RECQLCYP2C19POLBALDH1A1PDE4A
SCHEMBL11844414 0.84 RECQL (0.79) RECQLCYP2C19POLBALDH1A1PDE4A
SCHEMBL11844408 0.84 RECQL (0.79) RECQLCYP2C19POLBALDH1A1PDE4A
SCHEMBL4711727 0.79 NAPRT (0.41) RECQLKDM4ENAPRTCYP2D6CYP1A2
SCHEMBL24704153 0.78 PDE4A (0.46) NAPRTALDH1A1MEN1KMT2APDE4A
SCHEMBL10001025 0.78 RECQL (0.64) RECQLNAPRTCYP3A4CYP2C19CA1
SCHEMBL347216 0.78 RECQL (0.64) RECQLNAPRTCYP3A4CYP2C19CA1
SCHEMBL347217 0.78 RECQL (0.64) RECQLNAPRTCYP3A4CYP2C19CA1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170291890-A1 HETEROCYCLE SUBSTITUTED AMINO-PYRIDINE COMPOUNDS AND METHODS OF USE THEREOF Epizyme, Inc. 2017-10-12 US disclosed
EP-3194377-A1 HETEROCYCLE SUBSTITUTED AMINO-PYRIDINE COMPOUNDS AND METHODS OF USE THEREOF Epizyme, Inc. (US) 2017-07-26 EP disclosed
WO-2016044666-A1 HETEROCYCLE SUBSTITUTED AMINO-PYRIDINE COMPOUNDS AND METHODS OF USE THEREOF Epizyme, Inc. (US) 2016-03-24 WO disclosed
US-20080058356-A1 2,6 Bisheteroaryl-4-Aminopyrimidines as Adenosine Receptor Antagonists NEUROCRINE BIOSCIENCES, INC. (US) 2008-03-06 US disclosed
EP-1697351-A1 2,6-BISHETEROARYL-4-AMINOPYRIMIDINES AS ADENOSINE RECEPTOR ANTAGONISTS Almirall Prodesfarma AG (CH) 2006-09-06 EP disclosed
WO-2005058883-A1 2, 6 BISHETEROARYL-4-AMINOPYRIMIDINES AS ADENOSINE RECEPTOR ANTAGONISTS ALMIRALL PRODESFARMA AG (CH) 2005-06-30 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 (2 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-20170291890-A1 HETEROCYCLE SUBSTITUTED AMINO-PYRIDINE COMPOUNDS AND METHODS OF USE THEREOF HCCS, TP53, NME2 RECQL 409/4885KDM4E 997/4885NAPRT 182/4885
US-20080058356-A1 2,6 Bisheteroaryl-4-Aminopyrimidines as Adenosine Receptor Antagonists ADORA2A, ADORA3, ADORA1 RECQL 182/4885KDM4E 3504/4885NAPRT 2325/4885

“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.