SCHEMBL1650546

SCHEMBL1650546

CC(=O)Nc1nc2ccc(-c3ccc(C(=O)NC4CC4)cc3)nc2s1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.58
LMNA P02545 1/20 0.58
HPGD P15428 1/20 0.58
SMN1; SMN2 Q16637 2/20 0.45
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
PIK3CA P42336 3/20 0.43
RIPK2 O43353 2/20 0.42
DYRK1A Q13627 2/20 0.42
LCK P06239 2/20 0.42
MKNK1 Q9BUB5 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
MAPK14 Q16539 1/20 0.41
ADORA1 P30542 1/20 0.41
PIK3CG P48736 3/20 0.41
PIK3CB P42338 2/20 0.41
PI4KB Q9UBF8 1/20 0.41
ATR Q13535 2/20 0.41

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
SCHEMBL1653654 0.85 SMN1; SMN2 (0.62) SMN1; SMN2NPC1RAB9APIK3CADYRK1A
SCHEMBL1650746 0.82 PIK3CA (0.51) SMN1; SMN2NPC1RAB9APIK3CADYRK1A
SCHEMBL1650997 0.82 DYRK1A (0.60) SMN1; SMN2NPC1RAB9APIK3CADYRK1A
SCHEMBL1650409 0.80 KMT2A (0.51) ALDH1A1LMNAHPGDSMN1; SMN2MEN1
SCHEMBL1651603 0.78 DYRK1A (0.50) NPC1RAB9APIK3CADYRK1AADORA1
SCHEMBL1651590 0.76 PIK3CA (0.59) ALDH1A1SMN1; SMN2NPC1RAB9APIK3CA
SCHEMBL1696187 0.76 RIPK2 (0.54) ALDH1A1LMNAHPGDRIPK2LCK
SCHEMBL1651083 0.75 DYRK1A (0.45) NPC1RAB9APIK3CADYRK1AADORA1
SCHEMBL1650938 0.75 PIK3CA (0.51) PIK3CADYRK1AADORA1PIK3CG
SCHEMBL7987003 0.74 DYRK1A (0.41) SMN1; SMN2NPC1RAB9APIK3CADYRK1A

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 ALDH1A1 4277/4885LMNA 4143/4885HPGD 2432/4885

“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.