SCHEMBL323910

SCHEMBL323910

Cn1cnc2cc([O])cnc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.49
DYRK1A Q13627 2/20 0.37
ADORA2A P29274 3/20 0.36
ADORA1 P30542 2/20 0.36
PIK3CD O00329 1/20 0.36
POLB P06746 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
CNR1 P21554 1/20 0.36
ACHE P22303 1/20 0.36
ADORA2B P29275 1/20 0.36
NTSR1 P30989 1/20 0.36
MC3R P41968 1/20 0.36
NOTUM Q6P988 1/20 0.36
SIRT3 Q9NTG7 1/20 0.36
GDA Q9Y2T3 1/20 0.36
NR2E1 Q9Y466 1/20 0.36
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SYK P43405 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
SCHEMBL10238681 0.77 GRM5 (0.50) GRM5DYRK1AADORA2AADORA1ALDH1A1
SCHEMBL14142248 0.75 GRM5 (0.49) GRM5DYRK1AADORA2AADORA1ALDH1A1
SCHEMBL418650 0.75 GRM5 (0.49) GRM5DYRK1AADORA2AADORA1ALDH1A1
SCHEMBL323911 0.75 GRM5 (0.49) GRM5DYRK1AADORA2AADORA1ALDH1A1
SCHEMBL3389333 0.75 GRM5 (0.49) GRM5DYRK1AADORA2AADORA1ALDH1A1
SCHEMBL114730 0.75 GRM5 (0.49) GRM5DYRK1AADORA2AADORA1ALDH1A1
SCHEMBL7214662 0.73 GRM5 (0.55) GRM5ALDH1A1HSD17B10HPGD
SCHEMBL31003126 0.73 GRM5 (0.51) GRM5ADORA2BALDH1A1MAPTSYK
SCHEMBL11922145 0.72 GRM5 (0.46) GRM5DYRK1AADORA2AADORA1PIK3CD
SCHEMBL17058743 0.72 GRM5 (0.46) GRM5DYRK1AADORA2AADORA1ALDH1A1

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-2590944-B1 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2015-09-30 EP disclosed
US-8575158-B2 1-phenyl-substituted heterocyclyl derivatives and their use as prostaglandin D2 receptor modulators ACTELION PHARMACEUTICALS LTD. (CH) 2013-11-05 US disclosed
EP-2590944-A1 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS Actelion Pharmaceuticals Ltd. (CH) 2013-05-15 EP disclosed
US-20130109685-A1 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD. (CH) 2013-05-02 US disclosed
WO-2012004722-A1 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2012-01-12 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-20130109685-A1 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS PTGER1, PTGDR, PTGDR2 GRM5 677/4885DYRK1A 1773/4885ADORA2A 199/4885

“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.