SCHEMBL537450

SCHEMBL537450

CCOC(=O)CCCN(Cc1ccc(OC)cc1)c1nc(SC)nc(Cl)c1C(=O)OCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.40
▸ SMN1; SMN2 Q16637 6/20 0.40
▸ L3MBTL1 Q9Y468 3/20 0.40
▸ HTT P42858 3/20 0.40
▸ GAA P10253 3/20 0.38
▸ POLB P06746 1/20 0.38
▸ MAPK1 P28482 3/20 0.38
▸ TSHR P16473 3/20 0.38
▸ NPSR1 Q6W5P4 3/20 0.38
▸ LMNA P02545 3/20 0.37
▸ ALDH1A1 P00352 6/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ USP2 O75604 1/20 0.36
▸ GLA P06280 1/20 0.36
▸ CASP1 P29466 1/20 0.36
▸ CASP7 P55210 1/20 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
SCHEMBL537832 0.93 MAPT (0.40) MAPTSMN1; SMN2L3MBTL1HTTGAA
SCHEMBL13145803 0.85 MAPT (0.37) MAPTSMN1; SMN2L3MBTL1HTTGAA
SCHEMBL537640 0.84 PPARG (0.42) MAPTSMN1; SMN2L3MBTL1HTTGAA
SCHEMBL13131434 0.81 PPARG (0.43) MAPTSMN1; SMN2L3MBTL1HTTPOLB
SCHEMBL13145998 0.80 PPARG (0.45) MAPTSMN1; SMN2L3MBTL1HTTGAA
SCHEMBL14407177 0.78 MAPT (0.35) MAPTSMN1; SMN2L3MBTL1HTTGAA
SCHEMBL16446548 0.78 ALDH1A1 (0.46) MAPTSMN1; SMN2HTTGAAPOLB
SCHEMBL13146339 0.74 MAPT (0.37) MAPTSMN1; SMN2L3MBTL1HTTMAPK1
SCHEMBL538288 0.73 THRB (0.43) MAPTSMN1; SMN2L3MBTL1GAAPOLB
SCHEMBL30926036 0.71 MAPT (0.47) MAPTSMN1; SMN2L3MBTL1HTTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8343983-B2 Substituted pyrazolo-pyrimidine compounds ARQULE, INC. (US) 2013-01-01 — — US disclosed
US-8343983-B2 Substituted pyrazolo-pyrimidine compounds ARQULE, INC. (US) 2013-01-01 — — US disclosed
EP-2414359-A1 PERI-FUSED PYRAZOLO-PYRIMIDINE COMPOUNDS ArQule, Inc. (US) 2012-02-08 — — EP disclosed
WO-2010114905-A1 PERI-FUSED PYRAZOLO-PYRIMIDINE COMPOUNDS ARQULE, INC. (US) 2010-10-07 — — WO disclosed
US-20100249110-A1 SUBSTITUTED PYRAZOLO-PYRIMIDINE COMPOUNDS ARQULE, INC. (US) 2010-09-30 — — US disclosed
US-20100249110-A1 SUBSTITUTED PYRAZOLO-PYRIMIDINE COMPOUNDS ARQULE, INC. (US) 2010-09-30 — — 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 (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-20100249110-A1 SUBSTITUTED PYRAZOLO-PYRIMIDINE COMPOUNDS DPYD, TYMP, TP53 MAPT 2947/4885SMN1; SMN2 2524/4885L3MBTL1 4501/4885

“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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