SCHEMBL6312633

SCHEMBL6312633

CCc1c(C)c(C#N)c2nc3ccccc3n2c1NCC[C@H](NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.60
KMT2A Q03164 5/20 0.60
SLC2A1 P11166 1/20 0.59
KDM4E B2RXH2 7/20 0.57
ALDH1A1 P00352 6/20 0.57
POLB P06746 1/20 0.57
ATM Q13315 1/20 0.56
HK1 P19367 1/20 0.54
HKDC1 Q2TB90 1/20 0.54
HSP90AA1 P07900 2/20 0.53
MAPK1 P28482 1/20 0.53
MCL1 Q07820 1/20 0.53
LMNA P02545 3/20 0.52
GAA P10253 2/20 0.52
NPSR1 Q6W5P4 3/20 0.51
MAPT P10636 2/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
RECQL P46063 1/20 0.48

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
SCHEMBL14478948 0.76 MEN1 (1.00) MEN1KMT2ASLC2A1KDM4EALDH1A1
SCHEMBL6312639 0.75 CTSS (0.39)
SCHEMBL6310321 0.66 NPSR1 (1.00) MEN1KMT2ASLC2A1KDM4EALDH1A1
SCHEMBL14478784 0.66 KMT2A (0.70) MEN1KMT2ASLC2A1KDM4EALDH1A1
SCHEMBL28832879 0.66 SIRT2 (0.56) ALDH1A1
SCHEMBL265461 0.65 CTSK (0.66) ALDH1A1
SCHEMBL265783 0.65 CTSK (0.66) ALDH1A1
SCHEMBL329038 0.65 CTSK (0.66) ALDH1A1
SCHEMBL6318121 0.65 NPSR1 (0.71) MEN1KMT2ASLC2A1KDM4EALDH1A1
SCHEMBL28723295 0.65 CTSL (0.62)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050113397-A1 Imidazo[1,2-a]pyridine derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-05-26 US disclosed
EP-1479681-A1 IMIDAZO(1,2-a)PYRIDINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-11-24 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-20050113397-A1 Imidazo[1,2-a]pyridine derivative MANBA, MAN2B1, ERG28 MEN1 2268/4885KMT2A 4210/4885SLC2A1 865/4885

“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.