SCHEMBL7987003

SCHEMBL7987003

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

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 6/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
PIK3CA P42336 10/20 0.40
PIK3CG P48736 3/20 0.40
PIK3CB P42338 2/20 0.40
PI4KB Q9UBF8 1/20 0.40
ADORA1 P30542 1/20 0.40
PIK3CD O00329 1/20 0.39
NPC1 O15118 1/20 0.38
STAT1 P42224 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL1650997 0.80 DYRK1A (0.60) DYRK1ASMN1; SMN2PIK3CAPIK3CGPIK3CB
SCHEMBL1653654 0.79 SMN1; SMN2 (0.62) DYRK1ASMN1; SMN2PIK3CAPIK3CGPIK3CB
SCHEMBL1650409 0.78 KMT2A (0.51) DYRK1ASMN1; SMN2PIK3CAPIK3CGADORA1
SCHEMBL1651603 0.78 DYRK1A (0.50) DYRK1APIK3CAPIK3CGADORA1NPC1
SCHEMBL1650746 0.76 PIK3CA (0.51) DYRK1ASMN1; SMN2PIK3CAPIK3CGPIK3CB
SCHEMBL1650388 0.75 PIK3CA (0.49) DYRK1APIK3CAPIK3CGPIK3CBADORA1
SCHEMBL1650546 0.74 ALDH1A1 (0.58) DYRK1ASMN1; SMN2PIK3CAPIK3CGPIK3CB
SCHEMBL1651590 0.74 PIK3CA (0.59) DYRK1ASMN1; SMN2PIK3CAPIK3CGPIK3CB
SCHEMBL1650938 0.73 PIK3CA (0.51) DYRK1APIK3CAPIK3CGADORA1
SCHEMBL1651318 0.73 TP53 (0.44) DYRK1APIK3CAPIK3CGPIK3CBADORA1

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 3 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 disclosed
US-20110178070-A1 PI3K/mTOR INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-07-21 US 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 4206/4885PIK3CA 3/4885

“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.