SCHEMBL1650997

SCHEMBL1650997

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

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 10/20 0.60
SMN1; SMN2 Q16637 1/20 0.47
ADORA1 P30542 1/20 0.47
PIK3CA P42336 6/20 0.46
PIK3CG P48736 3/20 0.46
PIK3CB P42338 2/20 0.46
PI4KB Q9UBF8 1/20 0.46
CLK1 P49759 1/20 0.46
PIK3CD O00329 1/20 0.45
CYP3A4 P08684 2/20 0.45
NPC1 O15118 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
RAB9A P51151 1/20 0.43
FSCN1 Q16658 1/20 0.43
PDPK1 O15530 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
SCHEMBL1653654 0.86 SMN1; SMN2 (0.62) DYRK1ASMN1; SMN2ADORA1PIK3CAPIK3CG
SCHEMBL1650746 0.86 PIK3CA (0.51) DYRK1ASMN1; SMN2ADORA1PIK3CAPIK3CG
SCHEMBL1650409 0.86 KMT2A (0.51) DYRK1ASMN1; SMN2ADORA1PIK3CAPIK3CG
SCHEMBL1651603 0.83 DYRK1A (0.50) DYRK1AADORA1PIK3CAPIK3CGCLK1
SCHEMBL1650546 0.82 ALDH1A1 (0.58) DYRK1ASMN1; SMN2ADORA1PIK3CAPIK3CG
SCHEMBL1651590 0.81 PIK3CA (0.59) DYRK1ASMN1; SMN2ADORA1PIK3CAPIK3CG
SCHEMBL1650938 0.80 PIK3CA (0.51) DYRK1AADORA1PIK3CAPIK3CGCYP3A4
SCHEMBL7987003 0.80 DYRK1A (0.41) DYRK1ASMN1; SMN2ADORA1PIK3CAPIK3CG
SCHEMBL1650388 0.80 PIK3CA (0.49) DYRK1AADORA1PIK3CAPIK3CGPIK3CB
SCHEMBL1651318 0.80 TP53 (0.44) DYRK1AADORA1PIK3CAPIK3CGPIK3CB

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 DYRK1A 3783/4885SMN1; SMN2 4206/4885ADORA1 3806/4885

“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.