SCHEMBL6311865

SCHEMBL6311865

CC(=O)OCCc1c(C)c(C#N)c2nc3ccccn3c2c1C1CCCN1N(C)C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
TSHR P16473 3/20 0.32
RAD52 P43351 1/20 0.32
KDM4E B2RXH2 3/20 0.31
MAPT P10636 2/20 0.31
POLB P06746 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
HPGD P15428 3/20 0.31
HSD17B10 Q99714 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.30
MEN1 O00255 1/20 0.30
CYP3A4 P08684 1/20 0.30
HTR1A P08908 1/20 0.30
CYP2D6 P10635 1/20 0.30
PKM P14618 1/20 0.30
HTR2C P28335 1/20 0.30
THPO P40225 1/20 0.30
PMP22 Q01453 1/20 0.30

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
SCHEMBL6311689 0.79 ALDH1A1 (0.40) ALDH1A1RXFP1TSHRRAD52KDM4E
SCHEMBL6311853 0.74 ALDH1A1 (0.49) ALDH1A1RXFP1TSHRKDM4EMAPT
SCHEMBL6318124 0.66 ALDH1A1 (0.43) ALDH1A1L3MBTL1RXFP1TSHRKDM4E
SCHEMBL6310501 0.64 KDM4E (0.36) ALDH1A1RXFP1TSHRKDM4EMAPT
SCHEMBL6312305 0.64 ALDH1A1 (0.56) ALDH1A1L3MBTL1RXFP1TSHRKDM4E
SCHEMBL6319789 0.64 KDM4E (0.36) ALDH1A1RXFP1KDM4EMAPTPOLB
SCHEMBL6310328 0.63 NPSR1 (0.44) ALDH1A1RXFP1TSHRKDM4EMAPT
SCHEMBL6312086 0.62 MAPT (0.47) ALDH1A1L3MBTL1KDM4EMAPTTDP1
SCHEMBL6311653 0.62 HRH3 (0.37) HTR1ACYP2D6
SCHEMBL6312829 0.62 MAPT (0.35) ALDH1A1L3MBTL1TSHRKDM4EMAPT

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 ALDH1A1 2550/4885L3MBTL1 3913/4885RXFP1 1521/4885

“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.