SCHEMBL1657361

SCHEMBL1657361

O=C(O)c1cnc(C#Cc2ccccc2Cl)s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 6/20 0.46
▸ GRM5 P41594 1/20 0.45
▸ IKBKB O14920 1/20 0.41
▸ HTT P42858 3/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ MAPK13 O15264 2/20 0.41
▸ MAPK12 P53778 2/20 0.41
▸ MAPK11 Q15759 2/20 0.41
▸ MAPK14 Q16539 2/20 0.41
▸ PLA2G1B P04054 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ NFKB2 Q00653 1/20 0.41
▸ RELA Q04206 1/20 0.41
▸ ATG4B Q9Y4P1 1/20 0.41
▸ HCAR2 Q8TDS4 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
SCHEMBL1657314 0.83 GRM5 (0.45) PTGDR2GRM5IKBKBSMN1; SMN2KDM4E
SCHEMBL1657928 0.83 HCAR2 (0.46) GRM5IKBKBSMN1; SMN2ALDH1A1KDM4E
SCHEMBL1657819 0.81 CDC7 (0.46) PTGDR2HTTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL1657758 0.81 GRM5 (0.69) PTGDR2GRM5IKBKBSMN1; SMN2ALDH1A1
SCHEMBL1657080 0.80 GRM5 (0.64) GRM5KDM4EHCAR2FFAR1
SCHEMBL1657245 0.80 GRM5 (0.71) GRM5SMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL1657736 0.79 THRB (0.46) GRM5ALDH1A1NPC1RAB9AMAPK11
SCHEMBL1659908 0.78 GRM5 (0.56) GRM5ALDH1A1NPC1RAB9AMAPT
SCHEMBL1659733 0.77 GRM5 (0.55) GRM5RAB9AMEN1KMT2A
SCHEMBL1657235 0.77 GRM5 (0.50) PTGDR2GRM5HTTSMN1; SMN2ALDH1A1

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
US-20130231321-A1 2-SUBSTITUTED-ETHYNYLTHIAZOLE DERIVATIVES AND USES OF SAME H. LUNDBECK A/S (DK) 2013-09-05 — — US disclosed
US-8440837-B2 2-substituted-ethynylthiazole derivatives and uses of same H. LUNDBECK A/S (DK) 2013-05-14 — — US disclosed
EP-2490541-A1 2-SUBSTITUTED-ETHYNYLTHIAZOLE DERIVATIVES AND USES OF SAME H. Lundbeck A/S (DK) 2012-08-29 — — EP disclosed
WO-2011050063-A1 2-SUBSTITUTED-ETHYNYLTHIAZOLE DERIVATIVES AND USES OF SAME H. LUNDBECK A/S (DK) 2011-04-28 — — WO disclosed
US-20110092475-A1 2-SUBSTITUTED-ETHYNYLTHIAZOLE DERIVATIVES AND USES OF SAME H. LUNDBECK A/S (DK) 2011-04-21 — — 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-20130231321-A1 2-SUBSTITUTED-ETHYNYLTHIAZOLE DERIVATIVES AND USES OF SAME SULT1E1, SULT2A1, SULT1A1 PTGDR2 474/4885GRM5 3131/4885IKBKB 3161/4885
US-20110092475-A1 2-SUBSTITUTED-ETHYNYLTHIAZOLE DERIVATIVES AND USES OF SAME SULT1E1, SULT2A1, SULT1A1 PTGDR2 474/4885GRM5 3131/4885IKBKB 3161/4885

“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.

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