SCHEMBL6313236

SCHEMBL6313236

CC(=O)Nc1ccc(Cc2c(C)c(C#N)c3nc4ccccc4n3c2N2CCCC2N(C)C)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.56
ALDH1A1 P00352 7/20 0.56
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
TSHR P16473 3/20 0.49
HPGD P15428 2/20 0.49
CASP1 P29466 2/20 0.49
CASP7 P55210 2/20 0.49
MAPK1 P28482 2/20 0.49
HSD17B10 Q99714 1/20 0.49
HSP90AA1 P07900 1/20 0.49
MCL1 Q07820 1/20 0.49
NPSR1 Q6W5P4 3/20 0.48
ATM Q13315 1/20 0.48
HIF1A Q16665 1/20 0.45
HK1 P19367 1/20 0.44
HKDC1 Q2TB90 1/20 0.44
GLA P06280 2/20 0.44
GAA P10253 2/20 0.44
RXFP1 Q9HBX9 2/20 0.44

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
SCHEMBL6310779 0.89 KDM4E (0.49) KDM4EALDH1A1MEN1KMT2ATSHR
SCHEMBL6318894 0.88 KDM4E (0.51) KDM4EALDH1A1MEN1KMT2ATSHR
SCHEMBL6312406 0.88 KDM4E (0.52) KDM4EALDH1A1MEN1KMT2ATSHR
SCHEMBL6314311 0.88 ALDH1A1 (0.53) KDM4EALDH1A1MEN1KMT2ATSHR
SCHEMBL6310644 0.87 KDM4E (0.51) KDM4EALDH1A1MEN1KMT2ATSHR
SCHEMBL6312142 0.87 KDM4E (0.51) KDM4EALDH1A1MEN1KMT2ATSHR
Formic Acid SCHEMBL6312625 0.87 KDM4E (0.55) KDM4EALDH1A1MEN1KMT2ATSHR
SCHEMBL6313241 0.87 KDM4E (0.55) KDM4EALDH1A1MEN1KMT2ATSHR
SCHEMBL6311893 0.86 ALDH1A1 (0.50) KDM4EALDH1A1MEN1KMT2ATSHR
SCHEMBL6310982 0.85 KDM4E (0.48) KDM4EALDH1A1MEN1KMT2ATSHR

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 KDM4E 3360/4885ALDH1A1 2550/4885MEN1 2268/4885

“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.