SCHEMBL1994772

SCHEMBL1994772

CCOC(=O)Cc1c2ccccc2nn1CC1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
PKM P14618 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PIK3CD O00329 1/20 0.44
PIK3R2 O00459 1/20 0.44
PIK3CA P42336 1/20 0.44
PIK3CB P42338 1/20 0.44
PIK3CG P48736 1/20 0.44
PIK3R5 Q8WYR1 1/20 0.44
PIK3R3 Q92569 1/20 0.44
MERTK Q12866 1/20 0.43
GPR119 Q8TDV5 5/20 0.41
DTYMK P23919 1/20 0.41
LMNA P02545 1/20 0.41
THRB P10828 1/20 0.41
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
HTR1A P08908 1/20 0.40

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
SCHEMBL1995835 0.88 KDM4E (0.46) KDM4EPKMPIK3CDPIK3R2PIK3CA
SCHEMBL1993899 0.83 L3MBTL1 (0.48) KDM4EPKML3MBTL1PIK3CDPIK3R2
SCHEMBL1991648 0.77 L3MBTL1 (0.62) KDM4EPKML3MBTL1GPR119CHRM2
SCHEMBL14995622 0.75 KDM4E (0.44) KDM4EPKMPIK3CDPIK3R2PIK3CA
SCHEMBL18605495 0.75 MEN1 (0.40) KDM4EPKMGPR119LMNA
SCHEMBL5763294 0.74 LMNA (0.49) KDM4EPKMGPR119LMNATHRB
SCHEMBL23022536 0.74 BRD4 (0.47) KDM4EPKMLMNATHRBTP53
SCHEMBL1994908 0.74 L3MBTL1 (0.50) L3MBTL1CHRM2CHRM4CHRM1CHRM3
SCHEMBL2002226 0.74 L3MBTL1 (0.50) KDM4EPKML3MBTL1GPR119LMNA
SCHEMBL23915515 0.73 NPC1 (0.49) KDM4EPKMPIK3CDPIK3R2PIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-23 US 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-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS TPMT, TSLP, THPO KDM4E 3351/4885PKM 833/4885L3MBTL1 3898/4885

“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.