SCHEMBL323911

SCHEMBL323911

Cn1cnc2cc(O)cnc21

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.49
DYRK1A Q13627 2/20 0.37
PIK3CG P48736 1/20 0.35
PIK3C3 Q8NEB9 1/20 0.35
SYK P43405 1/20 0.34
ESR1 P03372 5/20 0.33
ESR2 Q92731 5/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
FGFR1 P11362 1/20 0.33
YTHDC1 Q96MU7 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.31

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
SCHEMBL30050236 1.00 GRM5 (0.49) GRM5DYRK1APIK3CGPIK3C3SYK
SCHEMBL10238681 0.77 GRM5 (0.50) GRM5DYRK1APIK3CGPIK3C3ALDH1A1
SCHEMBL20698114 0.75 GRM5 (0.49) GRM5DYRK1AALDH1A1ADORA2AADORA1
SCHEMBL114730 0.75 GRM5 (0.49) GRM5DYRK1APIK3CGPIK3C3SYK
SCHEMBL3389333 0.75 GRM5 (0.49) GRM5DYRK1APIK3CGPIK3C3ALDH1A1
SCHEMBL14142248 0.75 GRM5 (0.49) GRM5DYRK1APIK3CGPIK3C3SYK
SCHEMBL323910 0.75 GRM5 (0.49) GRM5DYRK1APIK3CGPIK3C3SYK
SCHEMBL19949792 0.75 GRM5 (0.45) GRM5DYRK1APIK3CGPIK3C3SYK
SCHEMBL31257588 0.73 ESR1 (0.31) ESR1ESR2
SCHEMBL31003131 0.73 GRM5 (0.44) GRM5DYRK1APIK3CGPIK3C3SYK

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 1773/4885PIK3CG 2512/4885

“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.