SCHEMBL100904

SCHEMBL100904

ClCc1cn2c(-c3ccccc3)cccc2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 2/20 0.46
MAP4K4 O95819 1/20 0.46
CSF1R P07333 1/20 0.46
PRKACA P17612 1/20 0.46
KDR P35968 1/20 0.46
CDK8 P49336 1/20 0.46
MAP2K1 Q02750 1/20 0.46
ACVR1 Q04771 1/20 0.46
MAP4K2 Q12851 1/20 0.46
ROCK1 Q13464 1/20 0.46
DYRK1A Q13627 1/20 0.46
AURKB Q96GD4 1/20 0.46
DYRK1B Q9Y463 1/20 0.46
NUDT1 P36639 1/20 0.44
RAB9A P51151 3/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
EGLN2 Q96KS0 1/20 0.42
PDE10A Q9Y233 3/20 0.41

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
SCHEMBL103694 0.84 NUDT1 (0.47) CHEK1MAP4K4CSF1RPRKACAKDR
SCHEMBL3738135 0.78 RAB9A (0.41) RAB9AMAPTKDM4EGAAPDE10A
SCHEMBL102494 0.78 CHEK1 (0.41) CHEK1MAP4K4CSF1RPRKACAKDR
SCHEMBL5371916 0.76 PDE10A (0.48) CHEK1DYRK1BRAB9AMAPTKDM4E
Hydrochloric Acid SCHEMBL6157540 0.75 PDE10A (0.47) CHEK1DYRK1BRAB9AMAPTKDM4E
SCHEMBL21355391 0.75 RAB9A (0.41) RAB9AMAPTKDM4EGAAPDE10A
SCHEMBL102052 0.75 MAPT (0.58) RAB9AMAPTKDM4EGAAPDE10A
SCHEMBL12920622 0.75 CHEK1 (0.50) CHEK1MAP4K4CSF1RPRKACAKDR
SCHEMBL103906 0.74 MAPT (0.39) CHEK1MAP4K4CSF1RPRKACAKDR
SCHEMBL3039669 0.73 RAB9A (0.42) RAB9AMAPTKDM4EGAAPDE10A

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
US-8883826-B2 Alkynyl derivatives as modulators of metabotropic glutamate receptors ADDEX PHARMA SA (CH) 2014-11-11 US disclosed
US-8674106-B2 Alkynyl derivatives as modulators of metabotropic glutamate receptors ADDEX PHARMA SA (CH) 2014-03-18 US disclosed
US-20130178631-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2013-07-11 US disclosed
EP-1765795-B1 Alkynyl derivatives as modulators of metabotropic glutamate receptors ADDEX PHARMA SA (CH) 2013-03-06 EP disclosed
US-20120277237-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2012-11-01 US disclosed
EP-2426115-A2 Alkynyl derivatives as modulators of metabotropic glutamate receptors Addex Pharma SA (CH) 2012-03-07 EP disclosed
US-8101637-B2 Alkynyl derivatives as modulators of metatropic glutamate receptors ADDEX PHARMA SA (CH) 2012-01-24 US disclosed
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS ADDEX PHARMACEUTICALS SA (CH) 2009-05-14 US disclosed
EP-1765795-A2 ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Addex Pharmaceuticals SA (CH) 2007-03-28 EP disclosed
WO-2005123703-A2 ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMACEUTICALS SA (CH) 2005-12-29 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 (3 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-20130178631-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 CHEK1 4639/4885MAP4K4 2371/4885CSF1R 1616/4885
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 CHEK1 4718/4885MAP4K4 2605/4885CSF1R 1199/4885
US-20120277237-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 CHEK1 4639/4885MAP4K4 2371/4885CSF1R 1616/4885

“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.