SCHEMBL102709

SCHEMBL102709

N/C(=N\O)c1cccc(Cl)c1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
L3MBTL1 Q9Y468 4/20 0.43
GAA P10253 3/20 0.43
LMNA P02545 2/20 0.43
S100B P04271 1/20 0.42
ITGB3 P05106 1/20 0.42
ITGAV P06756 1/20 0.42
GFER P55789 1/20 0.41
PKM P14618 3/20 0.41
ALDH1A1 P00352 2/20 0.41
ERCC5 P28715 1/20 0.41
FEN1 P39748 1/20 0.41
PPP1R15A O75807 1/20 0.41
MELK Q14680 1/20 0.41
PPP1R15B Q5SWA1 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GRIN2B Q13224 1/20 0.40
KDM4E B2RXH2 1/20 0.40
SCN5A Q14524 1/20 0.40
SCN2A Q99250 1/20 0.40

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
SCHEMBL17737959 1.00 TSHR (0.50) TSHRL3MBTL1GAALMNAS100B
SCHEMBL102710 1.00 TSHR (0.50) TSHRL3MBTL1GAALMNAS100B
SCHEMBL101069 0.83 L3MBTL1 (0.50) L3MBTL1GAALMNAGFERPKM
SCHEMBL101068 0.83 L3MBTL1 (0.50) L3MBTL1GAALMNAGFERPKM
SCHEMBL10833686 0.81 GRIN2B (0.49) L3MBTL1GAALMNAGFERPKM
SCHEMBL17738057 0.80 ALDH1A1 (0.45) L3MBTL1GAALMNAGFERPKM
SCHEMBL12973533 0.80 GAA (0.41) TSHRL3MBTL1GAALMNAGFER
SCHEMBL21163486 0.80 GAA (0.41) L3MBTL1GAALMNAGFERALDH1A1
SCHEMBL17738056 0.80 GAA (0.41) TSHRL3MBTL1GAALMNAGFER
SCHEMBL3418224 0.80 GAA (0.41) L3MBTL1GAALMNAGFERGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3215505-B1 PIPERIDINYLPYRAZOLOPYRIMIDINONES AND THEIR USE Bayer Pharma AG (DE) 2019-07-24 EP disclosed
US-10118930-B2 Piperidinylpyrazolopyrimidinones and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-11-06 US disclosed
US-20170334917-A1 PIPERIDINYLPYRAZOLOPYRIMIDINONES AND THEIR USE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-11-23 US disclosed
EP-3215505-A1 PIPERIDINYLPYRAZOLOPYRIMIDINONES AND THEIR USE Bayer Pharma Aktiengesellschaft (DE) 2017-09-13 EP disclosed
WO-2016071216-A1 PIPERIDINYLPYRAZOLOPYRIMIDINONES AND THEIR USE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-05-12 WO disclosed
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
US-20120277237-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2012-11-01 US disclosed
US-8183276-B2 Therapeutic agents MERCK SHARP & DOHME CORP. 2012-05-22 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-20100324029-A1 THERAPEUTIC AGENTS MERCK SHARP & DOHME CORP. 2010-12-23 US disclosed
EP-2117311-A1 THERAPEUTIC AGENTS Merck & Co., Inc. (US) 2009-11-18 EP disclosed
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS ADDEX PHARMACEUTICALS SA (CH) 2009-05-14 US disclosed
WO-2008097538-A1 THERAPEUTIC AGENTS MERCK & CO., INC. (US) 2008-08-14 WO 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 (6 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 TSHR 465/4885L3MBTL1 3907/4885GAA 2330/4885
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 TSHR 454/4885L3MBTL1 4070/4885GAA 2249/4885
US-10118930-B2 Piperidinylpyrazolopyrimidinones and their use HAMP, SERPINC1, PRSS8 TSHR 3606/4885L3MBTL1 4443/4885GAA 4335/4885
US-20120277237-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 TSHR 465/4885L3MBTL1 3907/4885GAA 2330/4885
US-20170334917-A1 PIPERIDINYLPYRAZOLOPYRIMIDINONES AND THEIR USE HAMP, SERPINC1, PRSS8 TSHR 3606/4885L3MBTL1 4443/4885GAA 4335/4885
US-20100324029-A1 THERAPEUTIC AGENTS PSEN2, PSEN1, BACE2 TSHR 4565/4885L3MBTL1 4463/4885GAA 88/4885

“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.