SCHEMBL2212136

SCHEMBL2212136

C[C@@H]1CN(c2ccc(-c3ccnc(C=O)c3)nc2C=O)C[C@H](C)O1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 3/20 0.38
HTT P42858 1/20 0.38
PIK3CA P42336 2/20 0.36
GAA P10253 4/20 0.36
GAK O14976 6/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
LMNA P02545 3/20 0.34
USP2 O75604 1/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
MTOR P42345 1/20 0.34
ALDH1A1 P00352 4/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LRRK2 Q5S007 1/20 0.34
GLA P06280 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PIK3CD O00329 1/20 0.33

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
SCHEMBL2212128 0.85 MTOR (0.45) TDP1KMT2AKDM4EHTTPIK3CA
SCHEMBL2213596 0.84 GAK (0.37) TDP1KMT2AKDM4EHTTPIK3CA
SCHEMBL2214863 0.83 GAK (0.36) TDP1KMT2AKDM4EHTTPIK3CA
SCHEMBL2215269 0.81 MTOR (0.47) TDP1KMT2APIK3CAGAAGAK
SCHEMBL2213594 0.80 MTOR (0.43) KMT2APIK3CAGAAGAKL3MBTL1
SCHEMBL2215391 0.80 KMT2A (0.38) TDP1KMT2AKDM4EHTTGAA
SCHEMBL2216714 0.79 GAA (0.38) KMT2AKDM4EHTTPIK3CAGAA
SCHEMBL2215311 0.79 GAK (0.39) KMT2AKDM4EPIK3CAGAAGAK
SCHEMBL2216705 0.78 PIK3R1 (0.44) TDP1KMT2AKDM4EHTTPIK3CA
SCHEMBL2215034 0.78 MEN1 (0.41) KMT2AKDM4EHTTPIK3CAGAA

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-20110178064-A1 SPIRO CONDENSED BARBITURIC ACID DERIVATIVES FOR USE AS ANTIBACTERIAL ASTRAZENECA R&D (SE) 2011-07-21 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-20110178064-A1 SPIRO CONDENSED BARBITURIC ACID DERIVATIVES FOR USE AS ANTIBACTERIAL TBCA, TUBA1A, BROX TDP1 4016/4885KMT2A 4476/4885KDM4E 4617/4885

“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.