SCHEMBL2215378

SCHEMBL2215378

C[C@@H]1CN(c2ncc(C#N)cc2C=O)C[C@H](C)O1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.41
PIK3CA P42336 1/20 0.38
MTOR P42345 1/20 0.38
SMN1; SMN2 Q16637 5/20 0.38
GAA P10253 3/20 0.38
ALDH1A1 P00352 3/20 0.38
HRH4 Q9H3N8 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
RAB9A P51151 2/20 0.37
MAPT P10636 2/20 0.37
IRAK4 Q9NWZ3 2/20 0.37
LRRK2 Q5S007 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
LMNA P02545 2/20 0.36
ATM Q13315 1/20 0.36
GRM4 Q14833 1/20 0.35
NPC1 O15118 1/20 0.34
TSHR P16473 3/20 0.34

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
SCHEMBL2214488 0.80 OPRK1 (0.48) KDM4EGAAALDH1A1RAB9AMAPT
SCHEMBL2212658 0.79 KDM4E (0.36) KDM4EPIK3CAMTORSMN1; SMN2GAA
SCHEMBL2215363 0.79 LRRK2 (0.40) KDM4EPIK3CASMN1; SMN2GAAALDH1A1
SCHEMBL1592160 0.77 ALDH1A1 (0.51) KDM4EMTORSMN1; SMN2GAAALDH1A1
SCHEMBL1592161 0.77 ALDH1A1 (0.51) KDM4EMTORSMN1; SMN2GAAALDH1A1
SCHEMBL2247014 0.76 PIK3CA (0.40) KDM4EPIK3CAGAAALDH1A1RAB9A
SCHEMBL2247007 0.76 PIK3CA (0.40) KDM4EPIK3CAGAAALDH1A1RAB9A
SCHEMBL2215416 0.76 GAK (0.52) KDM4EPIK3CASMN1; SMN2GAAALDH1A1
SCHEMBL2215359 0.76 KMT2A (0.36) KDM4EPIK3CAMTORSMN1; SMN2GAA
SCHEMBL2216042 0.75 GAK (0.41) KDM4EPIK3CAMTORGAAALDH1A1

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-20110178064-A1 SPIRO CONDENSED BARBITURIC ACID DERIVATIVES FOR USE AS ANTIBACTERIAL ASTRAZENECA R&D (SE) 2011-07-21 US disclosed
EP-2178876-A1 SPIRO CONDENSED BARBITURIC ACID DERIVATIVES FOR USE AS ANTIBACTERIAL AstraZeneca AB (SE) 2010-04-28 EP disclosed
WO-2009010801-A1 SPIRO CONDENSED BARBITURIC ACID DERIVATIVES FOR USE AS ANTIBACTERIAL ASTRAZENECA UK LIMITED (GB) 2009-01-22 WO 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-20110178064-A1 SPIRO CONDENSED BARBITURIC ACID DERIVATIVES FOR USE AS ANTIBACTERIAL TBCA, TUBA1A, BROX KDM4E 4617/4885PIK3CA 3969/4885MTOR 722/4885

“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.