SCHEMBL16856827

SCHEMBL16856827

O=C1Nc2cc(N3CCOCC3)nc(C3CC3)c2CN1c1cc2c(cc1Cl)CCC(c1ncccc1F)O2

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SNRNP200 O75643 3/20 0.49
IDH1 O75874 6/20 0.34
PIK3CA P42336 7/20 0.32
PIK3CB P42338 7/20 0.32
AKT1 P31749 4/20 0.32
PIK3CD O00329 2/20 0.32
NR1I2 O75469 1/20 0.32
CYP3A4 P08684 1/20 0.32
PIK3CG P48736 1/20 0.32
PIK3R2 O00459 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
SCHEMBL16856996 0.91 SNRNP200 (0.47) SNRNP200
SCHEMBL16857072 0.90 SNRNP200 (0.50) SNRNP200
SCHEMBL16857073 0.90 SNRNP200 (0.48) SNRNP200IDH1
SCHEMBL16856869 0.89 SNRNP200 (0.54) SNRNP200
SCHEMBL16856939 0.89 SNRNP200 (0.49) SNRNP200IDH1
SCHEMBL16857019 0.88 SNRNP200 (0.47) SNRNP200IDH1NR1I2
SCHEMBL16857084 0.87 SNRNP200 (0.47) SNRNP200
SCHEMBL16857106 0.86 SNRNP200 (0.47) SNRNP200
SCHEMBL15592841 0.86 SNRNP200 (0.55) SNRNP200
SCHEMBL16857104 0.86 SNRNP200 (0.47) SNRNP200

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150299188-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-10-22 US disclosed
US-20150299188-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-10-22 US disclosed
US-20150299188-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-10-22 US disclosed
EP-2889291-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2015-07-01 EP disclosed
EP-2889291-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2015-07-01 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-20150299188-A1 HETEROCYCLIC COMPOUND PTGIS, LIPG, FEN1 SNRNP200 3216/4885IDH1 3193/4885PIK3CA 791/4885

“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.