SCHEMBL2913101

SCHEMBL2913101

C[C@@H]1CN(C(=O)O)Cc2ccc(N3CCOCC3)nc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.41
ALDH1A1 P00352 5/20 0.41
HPGD P15428 3/20 0.41
HSD17B10 Q99714 3/20 0.41
CASP1 P29466 2/20 0.41
CASP7 P55210 2/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
AKT1 P31749 5/20 0.38
ADRA1A P35348 1/20 0.37
PIK3CA P42336 2/20 0.37
PKM P14618 1/20 0.37
POLB P06746 1/20 0.37
ALOX15 P16050 1/20 0.37
RAB9A P51151 1/20 0.36
HSD11B1 P28845 1/20 0.36
PIK3CD O00329 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
SCHEMBL2910571 1.00 KDM4E (0.41) KDM4EALDH1A1HPGDHSD17B10CASP1
SCHEMBL2910573 1.00 KDM4E (0.41) KDM4EALDH1A1HPGDHSD17B10CASP1
SCHEMBL2907415 0.85 PIK3CA (0.46) PIK3CAPIK3CD
SCHEMBL2912220 0.84 PIK3CA (0.40) PIK3CAPIK3CD
SCHEMBL2912224 0.84 PIK3CA (0.40) PIK3CAPIK3CD
SCHEMBL3066827 0.84 PIK3CA (0.40) PIK3CAPIK3CD
SCHEMBL3059640 0.81 AURKA (0.36) PIK3CAPIK3CD
SCHEMBL3059638 0.81 AURKA (0.36) PIK3CAPIK3CD
SCHEMBL8203593 0.78 ALDH1A1 (0.45) KDM4EALDH1A1HPGDHSD17B10CASP1
SCHEMBL4206510 0.78 LMNA (0.36) KDM4EALDH1A1HPGDHSD17B10CASP1

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
EP-2789338-A2 Condensed pyridine derivate and use thereof Takeda Pharmaceutical Company Limited (JP) 2014-10-15 EP disclosed
US-20100266504-A1 CONDENSED PYRIDINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-21 US disclosed
EP-2216023-A1 CONDENSED PYRIDINE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-08-11 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-20100266504-A1 CONDENSED PYRIDINE DERIVATIVE AND USE THEREOF HTR2C, HTR5A, HTR3C KDM4E 2469/4885ALDH1A1 2054/4885HPGD 238/4885

“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.