SCHEMBL6487979

SCHEMBL6487979

Cc1nc(C2CNCCN2CC(=O)Nc2c(C)cccc2C)c2ncsc2n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.36
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 3/20 0.35
PI4KB Q9UBF8 1/20 0.35
MAPT P10636 3/20 0.35
DRD4 P21917 4/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GAA P10253 1/20 0.34
ABL1 P00519 1/20 0.34
SRC P12931 1/20 0.34
CYP3A4 P08684 2/20 0.33
MEN1 O00255 1/20 0.33
MLNR O43193 1/20 0.33
NR1I2 O75469 1/20 0.33
USP2 O75604 1/20 0.33
CYP1A2 P05177 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
SCHEMBL10679600 0.72 ALDH1A1 (0.43) LMNATDP1ALDH1A1MAPTDRD4
SCHEMBL10684949 0.71 ALDH1A1 (0.44) POLBLMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL10680876 0.71 ALDH1A1 (0.43) POLBLMNAALDH1A1MAPTDRD4
SCHEMBL10682231 0.69 ALDH1A1 (0.42) LMNATDP1ALDH1A1MAPTDRD4
SCHEMBL11161398 0.69 ALDH1A1 (0.42) LMNAALDH1A1MAPTDRD4KDM4E
SCHEMBL10682425 0.69 KDM4E (0.42) POLBLMNAALDH1A1MAPTDRD4
SCHEMBL6488319 0.68 DRD4 (0.35) POLBLMNAALDH1A1MAPTDRD4
SCHEMBL10682507 0.68 ALDH1A1 (0.44) LMNAALDH1A1MAPTDRD4KDM4E
SCHEMBL10680577 0.68 LMNA (0.41) LMNAALDH1A1MAPTDRD4KDM4E
SCHEMBL6488952 0.66 KDM1A (0.38)

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-20050272745-A1 Novel piperidine and piperazine derivatives ASTRAZENECA AB 2005-12-08 US claimed

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-20050272745-A1 Novel piperidine and piperazine derivatives CYP3A5, IL5, ABCC5 POLB 2266/4885LMNA 3565/4885SMN1; SMN2 3028/4885

“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.