SCHEMBL721589

SCHEMBL721589

Cc1c(C(Nc2ccc(C(=O)N(C)CCC(=O)O)cc2)C2CCCCC2)oc2c(F)cc(F)cc12

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 4/20 0.35
TEAD4 Q15561 1/20 0.35
SLC6A9 P48067 5/20 0.33
PIK3CD O00329 2/20 0.33
PIK3CA P42336 2/20 0.33
PIK3CG P48736 2/20 0.33
MAPK14 Q16539 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
NAMPT P43490 2/20 0.32
TACR1 P25103 1/20 0.32
ITGB3 P05106 1/20 0.32
ITGA2B P08514 1/20 0.32
GCG P01275 4/20 0.31
SLC6A5 Q9Y345 1/20 0.31

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 0.99 PIK3CB (0.36) PIK3CBTEAD4SLC6A9PIK3CDPIK3CA
SCHEMBL718115 0.91 PIK3CB (0.35) PIK3CBTEAD4SLC6A9PIK3CDPIK3CA
SCHEMBL720374 0.88 GCG (0.40) SLC6A9GCGSLC6A5
SCHEMBL719224 0.88 NPC1 (0.44) PIK3CBTEAD4NPC1RAB9ANAMPT
SCHEMBL718724 0.87 NPC1 (0.42) PIK3CBTEAD4NPC1RAB9ANAMPT
SCHEMBL3403389 0.86 NPC1 (0.36) PIK3CBTEAD4SLC6A9MAPK14NPC1
SCHEMBL721071 0.86 GCG (0.44) GCG
SCHEMBL720639 0.83 TEAD4 (0.37) TEAD4NPC1RAB9A
SCHEMBL716552 0.82 NPC1 (0.40) TEAD4NPC1RAB9A
SCHEMBL3399101 0.82 TEAD4 (0.36) TEAD4MAPK14TACR1ITGB3ITGA2B

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 10 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

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 3850/4885TEAD4 253/4885SLC6A9 1426/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP PIK3CB 3850/4885TEAD4 253/4885SLC6A9 1426/4885

“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.