SCHEMBL718115

SCHEMBL718115

CCOC(=O)CCN(C)C(=O)c1ccc(NC(c2oc3c(F)cc(F)cc3c2C)C2CCCC2)cc1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 6/20 0.35
PIK3CD O00329 4/20 0.33
PIK3CA P42336 4/20 0.33
PIK3CG P48736 4/20 0.33
IDH1 O75874 1/20 0.33
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SLC6A9 P48067 2/20 0.31
P2RX3 P56373 1/20 0.31
TEAD4 Q15561 1/20 0.31
TDP1 Q9NUW8 1/20 0.30
NAMPT P43490 2/20 0.30
RAB9A P51151 1/20 0.30
NR1H2 P55055 1/20 0.30

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
SCHEMBL720291 0.91 PIK3CB (0.36) PIK3CBPIK3CDPIK3CAPIK3CGSLC6A9
SCHEMBL721589 0.91 PIK3CB (0.35) PIK3CBPIK3CDPIK3CAPIK3CGSLC6A9
SCHEMBL718275 0.89 RAB9A (0.40) PIK3CBIDH1MEN1KMT2ANAMPT
SCHEMBL716825 0.88 NPC1 (0.41) PIK3CBIDH1MEN1KMT2ATEAD4
SCHEMBL718485 0.86 PIK3CB (0.35) PIK3CBIDH1MEN1KMT2ATEAD4
SCHEMBL718427 0.83 KMT2A (0.35) PIK3CBIDH1MEN1KMT2ATEAD4
SCHEMBL718770 0.83 KMT2A (0.35) MEN1KMT2ATEAD4RAB9A
SCHEMBL719968 0.83 NPC1 (0.38) MEN1KMT2ATEAD4RAB9A
SCHEMBL719272 0.82 IDH1 (0.33) IDH1MEN1KMT2AP2RX3TEAD4
SCHEMBL719324 0.82 MAPT (0.36) MEN1KMT2ATEAD4RAB9A

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8436043-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 US disclosed
US-8436043-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 US disclosed
US-8436043-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 US disclosed
US-20120270865-A2 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-25 US disclosed
US-20120270865-A2 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-25 US disclosed
US-20120270865-A2 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-25 US disclosed
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 US disclosed
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 US disclosed
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 US disclosed
EP-2251326-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-11-17 EP disclosed
WO-2009110520-A1 HETEROCYCLIC COMPOUND 武田薬品工業株式会社 (JP) 2009-09-11 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 (2 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-20120053173-A1 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP PIK3CB 3850/4885PIK3CD 4071/4885PIK3CA 3961/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP PIK3CB 3850/4885PIK3CD 4071/4885PIK3CA 3961/4885

“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.