SCHEMBL12600014

SCHEMBL12600014

COC(CCCN)(OC)c1ccncc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.43
LOXL2 Q9Y4K0 2/20 0.39
KIF11 P52732 9/20 0.38
KCNH2 Q12809 2/20 0.38
AKT1 P31749 1/20 0.32
DYRK3 O43781 1/20 0.32
ROCK2 O75116 1/20 0.32
PRKD3 O94806 1/20 0.32
MAP4K4 O95819 1/20 0.32
PIM1 P11309 1/20 0.32
PRKACA P17612 1/20 0.32
RPS6KB1 P23443 1/20 0.32
CLK2 P49760 1/20 0.32
PRKX P51817 1/20 0.32
ROCK1 Q13464 1/20 0.32
DYRK1A Q13627 1/20 0.32
PRKG1 Q13976 1/20 0.32
PKN2 Q16513 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
MKNK2 Q9HBH9 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
SCHEMBL12600013 0.82
SCHEMBL6182586 0.81 LOXL2 (0.38) HRH1LOXL2KIF11CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL1533248 0.79 LOXL2 (0.37) HRH1LOXL2KIF11CYP2D6CYP2C9
SCHEMBL20366999 0.79 CYP3A4 (0.35) CYP3A4
SCHEMBL20366971 0.79 UHRF1 (0.35) LOXL2KIF11KCNH2DYRK1ACYP3A4
SCHEMBL739130 0.76 SLC7A5 (0.43) KIF11KCNH2CYP3A4CYP2D6CYP2C9
SCHEMBL27832092 0.72 KIF11 (0.38) KIF11
SCHEMBL7383009 0.72 HRH1 (0.47) HRH1LOXL2KIF11CYP3A4CYP2D6
SCHEMBL11808675 0.69 KIF11 (0.46) KIF11KCNH2CYP3A4CYP2D6CYP2C9
SCHEMBL2785385 0.68 KCNA5 (0.40) KIF11CYP3A4CYP2D6CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2307369-B1 MARKER REAGENTS WITH A PYRIDINE RING WITH A DIAZOMETHYL FUNCTION SUBSTITUENT METHODS FOR SYNTHESIS OF SAID REAGENTS AND METHODS FOR DETECTING BIOLOGICAL MOLECULES BIOMERIEUX SA (FR) 2018-07-11 EP disclosed
US-9266902-B2 Labelling reagents having a pyridine nucleus bearing a diazomethyl function, process for synthesis of such reagents and processes for detection of biological molecules BIOMERIEUX (FR) 2016-02-23 US disclosed
US-9266902-B2 Labelling reagents having a pyridine nucleus bearing a diazomethyl function, process for synthesis of such reagents and processes for detection of biological molecules BIOMERIEUX (FR) 2016-02-23 US disclosed
US-20110111514-A1 LABELLING REAGENTS HAVING A PYRIDINE NUCLEUS BEARING A DIAZOMETHYL FUNCTION, PROCESS FOR SYNTHESIS OF SUCH REAGENTS AND PROCESSES FOR DETECTION OF BIOLOGICAL MOLECULES BIOMERIEUX (FR) 2011-05-12 US disclosed
US-20110111514-A1 LABELLING REAGENTS HAVING A PYRIDINE NUCLEUS BEARING A DIAZOMETHYL FUNCTION, PROCESS FOR SYNTHESIS OF SUCH REAGENTS AND PROCESSES FOR DETECTION OF BIOLOGICAL MOLECULES BIOMERIEUX (FR) 2011-05-12 US 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-20110111514-A1 LABELLING REAGENTS HAVING A PYRIDINE NUCLEUS BEARING A DIAZOMETHYL FUNCTION, PROCESS FOR SYNTHESIS OF SUCH REAGENTS AND PROCESSES FOR DETECTION OF BIOLOGICAL MOLECULES DUT, NCL, POLRMT HRH1 3485/4885LOXL2 4226/4885KIF11 1990/4885

“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.