SCHEMBL16856929

SCHEMBL16856929

Nc1ccnc(N2CCOCC2)c1C=O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
KDM4E B2RXH2 4/20 0.43
LRRK2 Q5S007 1/20 0.43
ALDH1A1 P00352 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
LMNA P02545 2/20 0.40
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.39
PIK3CA P42336 2/20 0.39
PIK3CD O00329 2/20 0.39
PIK3R1 P27986 1/20 0.39
PIK3CB P42338 1/20 0.39
JAK3 P52333 1/20 0.38

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
SCHEMBL17583342 0.79 KDM4E (0.57) GAACYP1A2CYP2C9KDM4ELRRK2
SCHEMBL30622679 0.79 KDM4E (0.57) GAACYP1A2CYP2C9KDM4ELRRK2
SCHEMBL25120594 0.77 KDM4E (0.61) GAACYP1A2CYP2C9KDM4ELRRK2
SCHEMBL10076882 0.76 KDM4E (0.47) GAACYP1A2CYP2C9KDM4ELRRK2
SCHEMBL26797380 0.76 LRRK2 (0.52) GAACYP1A2CYP2C9KDM4ELRRK2
SCHEMBL31271466 0.74 CYP1A2 (0.58) CYP1A2CYP2C9ALDH1A1LMNAPOLB
SCHEMBL22199155 0.74 CYP1A2 (0.58) CYP1A2CYP2C9ALDH1A1LMNAPOLB
SCHEMBL21500052 0.73 LRRK2 (0.49) GAACYP1A2CYP2C9KDM4ELRRK2
SCHEMBL29445436 0.72 CYP1A2 (0.56) GAACYP1A2CYP2C9KDM4ELRRK2
SCHEMBL1551043 0.72 CYP1A2 (0.56) GAACYP1A2CYP2C9KDM4ELRRK2

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 2 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
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 GAA 861/4885CYP1A2 3534/4885CYP2C9 3766/4885

“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.