SCHEMBL2516744

SCHEMBL2516744

Cc1ccc(S(=O)(=O)N2CCC(NC(=O)OC(C)(C)C)C(O)c3ccccc32)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
LMNA P02545 5/20 0.39
USP2 O75604 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HTT P42858 1/20 0.38
HTR6 P50406 5/20 0.38
RORC P51449 3/20 0.38
MAPT P10636 2/20 0.38
NPC1 O15118 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL2511290 0.80 LMNA (0.45) ALDH1A1KMT2AMEN1LMNAHTT
SCHEMBL6311533 0.78 ALDH1A1 (0.41) ALDH1A1KMT2AMEN1MAOAMAOB
SCHEMBL2513449 0.76 HTR6 (0.48) ALDH1A1LMNAUSP2NPSR1HTR6
SCHEMBL16814165 0.75 MAPT (0.41) KMT2AMEN1LMNARORCMAPT
SCHEMBL2510502 0.73 EPHX2 (0.47) ALDH1A1KMT2AMEN1MAOBLMNA
SCHEMBL29508846 0.71 LMNA (0.66) ALDH1A1KMT2AMEN1LMNAHTT
SCHEMBL2513182 0.71 KMT2A (0.44) ALDH1A1KMT2AMEN1LMNAUSP2
SCHEMBL29325480 0.71 HTR6 (0.46) ALDH1A1KMT2AMEN1LMNANPSR1
SCHEMBL7097818 0.71 LMNA (0.45) ALDH1A1KMT2AMEN1LMNAUSP2
SCHEMBL27762723 0.70 HTR6 (0.46) ALDH1A1KMT2AMEN1LMNANPSR1

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 ALDH1A1 268/4885KMT2A 1835/4885MEN1 1409/4885

“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.