SCHEMBL716628

SCHEMBL716628

CCOC(=O)c1ccc(NC(c2oc3c(F)cc(F)cc3c2C)C2CCCCC2)nc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 1/20 0.37
CDK6 Q00534 1/20 0.37
SSTR5 P35346 2/20 0.36
GCG P01275 2/20 0.36
ALOX15 P16050 2/20 0.36
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
PDE7A Q13946 1/20 0.33
STS P08842 1/20 0.33
GPR35 Q9HC97 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
DPP4 P27487 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
JAK3 P52333 1/20 0.33

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
SCHEMBL720374 0.84 GCG (0.40) GCG
SCHEMBL716326 0.80 NPC1 (0.46) GCG
SCHEMBL718443 0.76 MEN1 (0.46) SSTR5GCG
SCHEMBL720080 0.76 NPC1 (0.47) GCG
SCHEMBL716992 0.75 RAB9A (0.38) SSTR5GCGKDM4E
SCHEMBL718115 0.75 PIK3CB (0.35)
SCHEMBL10284459 0.74 RAB9A (0.41) SSTR5GCGMAPT
SCHEMBL721071 0.73 GCG (0.44) GCG
SCHEMBL721589 0.73 PIK3CB (0.35) GCG
SCHEMBL718572 0.72 GCG (0.54) GCG

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 4 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-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
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 CDK4 583/4885CDK6 1361/4885SSTR5 221/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP CDK4 583/4885CDK6 1361/4885SSTR5 221/4885

“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.