SCHEMBL17433912

SCHEMBL17433912

CCOC(=O)c1cnc2c(c1)c(=O)n(C1CC1)c(=O)n2C1CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EEF2K O00418 2/20 0.41
EEF2 P13639 1/20 0.41
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PIK3CA P42336 3/20 0.40
USP2 O75604 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
CDK4 P11802 1/20 0.39
CDK6 Q00534 1/20 0.39
P2RY12 Q9H244 5/20 0.39
GRK6 P43250 1/20 0.39
MAPK1 P28482 1/20 0.38
AKT1 P31749 2/20 0.38
MTOR P42345 2/20 0.38
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE7A Q13946 1/20 0.37
XBP1 P17861 1/20 0.37

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
SCHEMBL17434081 0.81 EEF2K (0.39) EEF2KEEF2ALDH1A1L3MBTL1PIK3CA
SCHEMBL17434268 0.78 PDE5A (0.39) ALDH1A1L3MBTL1CYP2C9CYP2C19PDE4A
SCHEMBL17433924 0.77 EEF2K (0.45) EEF2KALDH1A1KDM4ECYP2C9CYP2C19
SCHEMBL7627588 0.77 ALDH1A1 (0.56) ALDH1A1KDM4EL3MBTL1CYP2C9CYP2C19
SCHEMBL17434340 0.70 KMT2A (0.58) ALDH1A1KDM4EL3MBTL1P2RY12MAPK1
SCHEMBL6514548 0.69 ALDH1A1 (0.54) ALDH1A1KDM4EL3MBTL1MAPK1
SCHEMBL7436172 0.68 CDK4 (0.46) ALDH1A1KDM4EPIK3CACYP2C9CYP2C19
SCHEMBL11875375 0.68 KMT2A (0.55) CYP2C9CYP2C19PDE4B
SCHEMBL4110648 0.68 EEF2K (0.35) EEF2KEEF2ALDH1A1KDM4EPIK3CA
SCHEMBL4110652 0.68 EEF2K (0.35) EEF2KEEF2ALDH1A1KDM4EPIK3CA

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-9834520-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-12-05 US disclosed
US-20160229814-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-08-11 US disclosed
EP-2975031-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2016-01-20 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-20160229814-A1 HETEROCYCLIC COMPOUND RORB, RORC, RORA EEF2K 2197/4885EEF2 2000/4885ALDH1A1 312/4885

“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.