SCHEMBL2470533

SCHEMBL2470533

Nc1ccccc1C(=O)c1cncs1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.49
MAPT P10636 2/20 0.49
HSD17B10 Q99714 5/20 0.47
ALOX15 P16050 2/20 0.47
TP53 P04637 1/20 0.47
ALDH1A1 P00352 5/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CFTR P13569 1/20 0.40
ESRRA P11474 1/20 0.39
KMT2A Q03164 3/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
LMNA P02545 2/20 0.37
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
GLA P06280 1/20 0.37
KDM4E B2RXH2 2/20 0.36

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
SCHEMBL14516318 0.83 HSD17B10 (0.34) GAAMAPTHSD17B10ALOX15TP53
SCHEMBL343663 0.81 RECQL (0.51) ALDH1A1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL27695669 0.81 KMT2A (0.37) GAAMAPTHSD17B10ALOX15ALDH1A1
SCHEMBL5752803 0.75 KMT2A (0.47) MAPTALDH1A1KMT2AGRM4
SCHEMBL175110 0.75 HPGDS (0.53) MAPTHSD17B10ALOX15ALDH1A1NPC1
SCHEMBL14517067 0.75 ALDH1A1 (0.47) GAAALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL27199984 0.74 FABP4 (0.50) MAPTALOX15KMT2AMEN1MAPK13
SCHEMBL1424601 0.74 ALOX15 (0.66) GAAMAPTHSD17B10ALOX15TP53
SCHEMBL112507 0.73 MAPT (0.74) GAAMAPTHSD17B10ALOX15TP53
SCHEMBL30790667 0.73 MAPT (0.74) GAAMAPTHSD17B10ALOX15TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104870464-A polymannosides, method for the production thereof and their use as medicaments CENTRE NAT RECH SCIENT 2015-08-26 CN disclosed
US-8546404-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME (US) 2013-10-01 US disclosed
US-8546404-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME (US) 2013-10-01 US disclosed
US-8546404-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME (US) 2013-10-01 US disclosed
EP-1966151-B1 POLYCYCLIC INDAZOLE DERIVATIVES THAT ARE ERK INHIBITORS SCHERING CORP (US) 2011-10-05 EP disclosed
EP-1966151-B1 POLYCYCLIC INDAZOLE DERIVATIVES THAT ARE ERK INHIBITORS SCHERING CORP (US) 2011-10-05 EP disclosed
US-20090118284-A1 Novel compounds that are ERK inhibitors MERCK SHARP & DOHME LLC 2009-05-07 US disclosed
US-20090118284-A1 Novel compounds that are ERK inhibitors MERCK SHARP & DOHME LLC 2009-05-07 US disclosed
US-20090118284-A1 Novel compounds that are ERK inhibitors MERCK SHARP & DOHME LLC 2009-05-07 US disclosed
US-20070191604-A1 Novel compounds that are ERK inhibitors SCHERING CORPORATION 2007-08-16 US disclosed
US-20070191604-A1 Novel compounds that are ERK inhibitors SCHERING CORPORATION 2007-08-16 US disclosed
US-20070191604-A1 Novel compounds that are ERK inhibitors SCHERING CORPORATION 2007-08-16 US disclosed
WO-2007070398-A1 POLYCYCLIC INDAZOLE DERIVATIVES THAT ARE ERK INHIBITORS SCHERING CORPORATION (US) 2007-06-21 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 (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-20090118284-A1 Novel compounds that are ERK inhibitors MAPK1, MAPK4, MAPK10 GAA 3808/4885MAPT 3731/4885HSD17B10 1802/4885
US-20070191604-A1 Novel compounds that are ERK inhibitors MAPK1, MAPK4, MAPKAPK2 GAA 4009/4885MAPT 3519/4885HSD17B10 2605/4885

“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.