SCHEMBL4517460

SCHEMBL4517460

OCCNCc1c(-c2cccc(F)c2)ccnc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VSIR Q9H7M9 3/20 0.45
CD274 Q9NZQ7 9/20 0.42
PDCD1 Q15116 6/20 0.42
SRC P12931 1/20 0.39
TOP2A P11388 1/20 0.38
FYN P06241 1/20 0.38
CCNT1 O60563 2/20 0.37
CDK9 P50750 1/20 0.37
PDCD1LG2 Q9BQ51 1/20 0.37
CDC7 O00311 1/20 0.37
ROCK2 O75116 1/20 0.37
MAP4K4 O95819 1/20 0.37
PIM1 P11309 1/20 0.37
PRKACA P17612 1/20 0.37
CDK2 P24941 1/20 0.37
GSK3B P49841 1/20 0.37
HIPK2 Q9H2X6 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.37
NUDT1 P36639 1/20 0.36

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
SCHEMBL4516325 0.93 VSIR (0.40) VSIRCD274PDCD1TOP2AFYN
SCHEMBL4525368 0.86 CD274 (0.36) CD274PDCD1PDCD1LG2KDM4E
SCHEMBL4525266 0.86 CD274 (0.48) CD274PDCD1
SCHEMBL4514883 0.83 FYN (0.45) TOP2AFYNCDC7ROCK2MAP4K4
SCHEMBL4512711 0.80 PRMT5 (0.41) CD274PDCD1KDM4E
SCHEMBL4509956 0.78 PDCD1 (0.41) CD274PDCD1FYNCDC7ROCK2
SCHEMBL4514401 0.78 CHRM2 (0.38) KDM4E
SCHEMBL4524045 0.77 ADORA1 (0.40) CD274PDCD1
SCHEMBL4523605 0.71 KMO (0.51) TOP2AFYNCDC7ROCK2MAP4K4
SCHEMBL4517455 0.71 STK4 (0.40) TOP2AFYNCDC7ROCK2MAP4K4

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-7625887-B2 Receptor agonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-01 US disclosed
US-20060199795-A1 Receptor agonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-09-07 US disclosed
EP-1591120-A1 RECEPTOR AGONISTS Takeda Chemical Industries, Ltd. (JP) 2005-11-02 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-20060199795-A1 Receptor agonists GPBAR1, GPR35, GPR55 VSIR 1712/4885CD274 3690/4885PDCD1 4197/4885

“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.