SCHEMBL2900960

SCHEMBL2900960

CSc1ccc(C(CC2CCOCC2)c2ccc(-c3ccccn3)[nH]2)cc1F

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GCK P35557 13/20 0.33
HIF1A Q16665 1/20 0.32
GRM4 Q14833 3/20 0.30
SLC6A9 P48067 1/20 0.30
CSF1R P07333 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
SCHEMBL2893803 0.89 GCK (0.31) GCK
SCHEMBL2898415 0.85
SCHEMBL2892055 0.84 GCK (0.45) GCK
SCHEMBL2901579 0.83 HIF1A (0.33) GCKHIF1A
SCHEMBL2902387 0.78 GCK (0.44) GCK
SCHEMBL2896609 0.78 GCK (0.57) GCK
SCHEMBL2899592 0.78 GCK (0.37) GCK
SCHEMBL2901940 0.77 GCK (0.44) GCK
SCHEMBL2901747 0.76 GCK (0.38) GCKHIF1A
SCHEMBL2901481 0.73 GCK (0.42) GCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318746-B2 Nitrogen-containing five-membered heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-27 US disclosed
US-8318746-B2 Nitrogen-containing five-membered heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-27 US disclosed
US-8318746-B2 Nitrogen-containing five-membered heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-27 US disclosed
US-20100130446-A1 NITROGEN-CONTAINING FIVE-MEMBERED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAS COMPANY LIMITED (JP) 2010-05-27 US disclosed
US-20100130446-A1 NITROGEN-CONTAINING FIVE-MEMBERED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAS COMPANY LIMITED (JP) 2010-05-27 US disclosed
US-20100130446-A1 NITROGEN-CONTAINING FIVE-MEMBERED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAS COMPANY LIMITED (JP) 2010-05-27 US disclosed
EP-2149550-A1 NITROGEN-CONTAINING FIVE-MEMBERED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-02-03 EP disclosed
EP-2149550-A1 NITROGEN-CONTAINING FIVE-MEMBERED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-02-03 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 (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-20100130446-A1 NITROGEN-CONTAINING FIVE-MEMBERED HETEROCYCLIC COMPOUND GCKR, GCK, SLC5A1 GCK 2/4885HIF1A 1218/4885GRM4 2063/4885

“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.