SCHEMBL2511290

SCHEMBL2511290

Cc1ccc(S(=O)(=O)N2CCC(NC(=O)OC(C)(C)C)Cc3ccccc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.45
KMT2A Q03164 6/20 0.45
TSHR P16473 4/20 0.45
MAPT P10636 3/20 0.45
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 6/20 0.45
MEN1 O00255 5/20 0.45
EPHX2 P34913 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.44
GAA P10253 3/20 0.44
HTT P42858 3/20 0.44
PKM P14618 1/20 0.44
DRD2 P14416 2/20 0.43
HCRTR1 O43613 1/20 0.43
NAMPT P43490 1/20 0.43
KCNA3 P22001 1/20 0.43

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
SCHEMBL2510502 0.93 EPHX2 (0.47) LMNAKMT2ATSHRMAPTNPC1
SCHEMBL2988382 0.83 RORC (0.49) EPHX2
SCHEMBL2516744 0.80 ALDH1A1 (0.39) LMNAKMT2ATSHRMAPTNPC1
SCHEMBL29508846 0.80 LMNA (0.66) LMNAKMT2ANPC1ALDH1A1MEN1
SCHEMBL2517731 0.78 RORC (0.47) EPHX2DRD2
SCHEMBL7097818 0.78 LMNA (0.45) LMNAKMT2AALDH1A1MEN1EPHX2
SCHEMBL2520300 0.78 RORC (0.52) LMNAKMT2ATSHRMAPTNPC1
SCHEMBL17215668 0.76 MCL1 (0.62) LMNAKMT2ATSHRMAPTALDH1A1
SCHEMBL16814165 0.74 MAPT (0.41) LMNAKMT2AMAPTMEN1HCRTR1
SCHEMBL17158232 0.74 ALDH1A1 (0.61) LMNAKMT2AALDH1A1MEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8273754-B2 Substituted 1H-pyrazolo[3,4-D]pyrimidine-6-amine compounds ARQULE, INC. (US) 2012-09-25 US disclosed
US-8273754-B2 Substituted 1H-pyrazolo[3,4-D]pyrimidine-6-amine compounds ARQULE, INC. (US) 2012-09-25 US disclosed
EP-2379556-A1 SUBSTITUTED 1H-PYRAZOLO[3,4-D]PYRIMIDINE-6-AMINE COMPOUNDS ArQule, Inc. (US) 2011-10-26 EP disclosed
WO-2010078430-A1 SUBSTITUTED 1H-PYRAZOLO[3,4-D]PYRIMIDINE-6-AMINE COMPOUNDS ARQULE, INC. (US) 2010-07-08 WO disclosed
WO-2010078430-A1 SUBSTITUTED 1H-PYRAZOLO[3,4-D]PYRIMIDINE-6-AMINE COMPOUNDS ARQULE, INC. (US) 2010-07-08 WO disclosed
US-20100172867-A1 SUBSTITUTED 1H-PYRAZOLO[3,4-D]PYRIMIDINE-6-AMINE COMPOUNDS ARQULE, INC. (US) 2010-07-08 US disclosed
US-20100172867-A1 SUBSTITUTED 1H-PYRAZOLO[3,4-D]PYRIMIDINE-6-AMINE COMPOUNDS ARQULE, INC. (US) 2010-07-08 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-20100172867-A1 SUBSTITUTED 1H-PYRAZOLO[3,4-D]PYRIMIDINE-6-AMINE COMPOUNDS DPYD, MKI67, TYMP LMNA 2142/4885KMT2A 1835/4885TSHR 3722/4885

“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.