SCHEMBL1650409

SCHEMBL1650409

CC(=O)Nc1ccc(-c2ccc3nc(NC(C)=O)sc3n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.51
MEN1 O00255 5/20 0.51
ALDH1A1 P00352 4/20 0.51
MAPT P10636 4/20 0.51
KDM4E B2RXH2 3/20 0.51
HPGD P15428 3/20 0.51
RXFP1 Q9HBX9 2/20 0.51
GAA P10253 2/20 0.51
PRNP P04156 1/20 0.51
POLB P06746 1/20 0.51
DYRK1A Q13627 5/20 0.50
ADORA1 P30542 1/20 0.50
PIK3CG P48736 1/20 0.49
GFER P55789 1/20 0.49
LDHA P00338 1/20 0.48
HTT P42858 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SULT1A1 P50225 1/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL1651318 0.88 TP53 (0.44) ALDH1A1MAPTKDM4EHPGDDYRK1A
SCHEMBL31452262 0.87 KMT2A (0.43) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL1651603 0.86 DYRK1A (0.50) DYRK1AADORA1PIK3CGRAB9ACYP2C19
SCHEMBL1650997 0.86 DYRK1A (0.60) DYRK1AADORA1PIK3CGSMN1; SMN2RAB9A
SCHEMBL30526601 0.85 KMT2A (0.50) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL1653654 0.85 SMN1; SMN2 (0.62) DYRK1AADORA1PIK3CGSMN1; SMN2RAB9A
SCHEMBL1651590 0.85 PIK3CA (0.59) ALDH1A1POLBDYRK1AADORA1PIK3CG
SCHEMBL1650938 0.83 PIK3CA (0.51) DYRK1AADORA1PIK3CGPIK3CA
SCHEMBL1650388 0.83 PIK3CA (0.49) KMT2AMEN1MAPTPOLBDYRK1A
SCHEMBL1650746 0.82 PIK3CA (0.51) DYRK1AADORA1PIK3CGHTTSMN1; SMN2

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-20110178070-A1 PI3K/mTOR INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-07-21 US claimed
US-20110178070-A1 PI3K/mTOR INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-07-21 US disclosed
US-20110178070-A1 PI3K/mTOR INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-07-21 US disclosed
US-20110178070-A1 PI3K/mTOR INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-07-21 US disclosed
EP-2311842-A2 PI3K/M TOR inhibitors Takeda Pharmaceutical Company Limited (JP) 2011-04-20 EP disclosed
WO-2010008847-A2 PI3K/M TOR INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-21 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 (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-20110178070-A1 PI3K/mTOR INHIBITORS MTOR, RICTOR, PIK3CA KMT2A 2302/4885MEN1 822/4885ALDH1A1 4277/4885

“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.