SCHEMBL12540751

SCHEMBL12540751

CC(N)C#Cc1n[nH]c2nc[nH]c(=O)c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.35
GDA Q9Y2T3 1/20 0.35
PARP1 P09874 3/20 0.35
DYRK1A Q13627 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
ADORA2A P29274 1/20 0.34
SLC6A4 P31645 1/20 0.34
ADRA1A P35348 1/20 0.34
XDH P47989 1/20 0.34
RAB9A P51151 1/20 0.34
BLM P54132 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PDPK1 O15530 1/20 0.32
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL12541355 0.87 ACHE (0.34) ACHEGDAPARP1DYRK1ACYP1A2
SCHEMBL28918223 0.82 DYRK1A (0.38) ACHEGDAPARP1DYRK1ACYP1A2
SCHEMBL12540753 0.76 DYRK1A (0.34) ACHEGDAPARP1DYRK1ACYP1A2
SCHEMBL28590000 0.75 DYRK1A (0.35) ACHEGDAPARP1DYRK1ACYP1A2
SCHEMBL30947487 0.75 DYRK1A (0.40) ACHEGDAPARP1DYRK1ACYP1A2
SCHEMBL28599648 0.74 IP6K1 (0.48) PARP1DYRK1ALMNATSHRADORA2A
SCHEMBL22292592 0.73 LMNA (0.41) ACHEGDAPARP1DYRK1ACYP1A2
SCHEMBL28608978 0.73 PIK3CA (0.39) ACHEGDAPARP1DYRK1ACYP1A2
SCHEMBL28917753 0.72 DYRK1A (0.32) DYRK1ACYP1A2CYP2D6LMNATSHR
SCHEMBL28585557 0.71 DYRK1A (0.41) DYRK1ACYP1A2LMNATSHRADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10266903-B2 Methods and compositions for detecting antibiotic resistant bacteria ELITECHGROUP, INC. (US) 2019-04-23 US disclosed
EP-2689031-B1 FUNCTIONALIZED 3-ALKYNYL PYRAZOLOPYRIMIDINE ANALOGUES AS UNIVERSAL BASES AND METHODS OF USE ELITECHGROUP B V (NL) 2016-10-19 EP disclosed
US-20160168628-A1 METHODS AND COMPOSITIONS FOR DETECTING ANTIBIOTIC RESISTANT BACTERIA ELITECHGROUP MDX LLC 2016-06-16 US disclosed
EP-2971086-A1 FUNCTIONALIZED 3-ALKYNYL PYRAZOLOPYRIMIDINE ANALOGUES AS UNIVERSAL BASES AND METHODS OF USE ELITechGroup B.V. (NL) 2016-01-20 EP disclosed
US-9085800-B2 Functionalized 3-alkynyl pyrazolopyrimidine analogues as universal bases and methods of use ELITECH HOLDING B.V. (NL) 2015-07-21 US disclosed
US-8969003-B2 Functionalized 3-alkynyl pyrazolopyrimidine analogues as universal bases and methods of use ELITECH HOLDING B.V. (NL) 2015-03-03 US disclosed
WO-2014159063-A1 FUNCTIONALIZED 3-ALKYNYL PYRAZOLOPYRIMIDINE ANALOGUES AS UNIVERSAL BASES AND METHODS OF USE ELITECH HOLDING B.V. (NL) 2014-10-02 WO disclosed
US-20130261014-A1 FUNCTIONALIZED 3-ALKYNYL PYRAZOLOPYRIMIDINE ANALOGUES AS UNIVERSAL BASES AND METHODS OF USE ELITECHGROUP MDX LLC 2013-10-03 US disclosed
US-20120244535-A1 FUNCTIONALIZED 3-ALKYNYL PYRAZOLOPYRIMIDINE ANALOGUES AS UNIVERSAL BASES AND METHODS OF USE ELITECH HOLDING B.V. 2012-09-27 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 (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-20130261014-A1 FUNCTIONALIZED 3-ALKYNYL PYRAZOLOPYRIMIDINE ANALOGUES AS UNIVERSAL BASES AND METHODS OF USE NUDT1, ADAR, DPYD ACHE 4802/4885GDA 36/4885PARP1 273/4885
US-20120244535-A1 FUNCTIONALIZED 3-ALKYNYL PYRAZOLOPYRIMIDINE ANALOGUES AS UNIVERSAL BASES AND METHODS OF USE NUDT1, ADAR, DPYD ACHE 4802/4885GDA 36/4885PARP1 273/4885

“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.