SCHEMBL6310386

SCHEMBL6310386

Cc1c(-c2ccccc2)c(N2CC[C@H](NCCCNC(=O)OC(C)(C)C)C2)n2c(nc3ccccc32)c1C#N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 5/20 0.44
ALDH1A1 P00352 3/20 0.44
HPGD P15428 2/20 0.44
TSHR P16473 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
HSD17B10 Q99714 1/20 0.44
KMT2A Q03164 4/20 0.39
NPSR1 Q6W5P4 4/20 0.39
MEN1 O00255 3/20 0.39
PRF1 P14222 2/20 0.39
DPP4 P27487 1/20 0.39
LMNA P02545 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HIF1A Q16665 1/20 0.38
MAPT P10636 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HTT P42858 1/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL6654561 0.90 ALDH1A1 (0.45) ALDH1A1HPGDTSHRCASP1CASP7
SCHEMBL6311656 0.86 KDM4E (0.51) ALDH1A1HPGDTSHRCASP1CASP7
SCHEMBL6310374 0.86 ALDH1A1 (0.43) BRD4ALDH1A1HPGDTSHRCASP1
SCHEMBL6311786 0.81 ALDH1A1 (0.47) ALDH1A1HPGDTSHRCASP1CASP7
SCHEMBL6314470 0.80 ALDH1A1 (0.50) ALDH1A1HPGDTSHRCASP1CASP7
SCHEMBL6318740 0.79 ALDH1A1 (0.54) BRD4ALDH1A1HPGDTSHRCASP1
SCHEMBL6312709 0.78 ALDH1A1 (0.44) ALDH1A1HPGDTSHRCASP1CASP7
SCHEMBL6319889 0.75 ALDH1A1 (0.53) BRD4ALDH1A1HPGDTSHRCASP1
SCHEMBL6310825 0.75 ALDH1A1 (0.52) ALDH1A1HPGDTSHRCASP1CASP7
SCHEMBL6311934 0.74 ALDH1A1 (0.47) ALDH1A1HPGDTSHRCASP1CASP7

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 BRD4 921/4885ALDH1A1 2550/4885HPGD 2061/4885

“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.