SCHEMBL6313706

SCHEMBL6313706

CCCCc1c(C)c(C#N)c2nc3[nH]cccc3n2c1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.55
GAA P10253 6/20 0.55
KDM4E B2RXH2 6/20 0.55
HPGD P15428 5/20 0.55
HTT P42858 3/20 0.55
LMNA P02545 2/20 0.55
APAF1 O14727 2/20 0.55
NOD2 Q9HC29 1/20 0.55
KMT2A Q03164 7/20 0.53
MAPT P10636 6/20 0.53
RAB9A P51151 4/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
NPSR1 Q6W5P4 3/20 0.53
MEN1 O00255 5/20 0.48
SLC2A1 P11166 1/20 0.47
HK1 P19367 1/20 0.46
HKDC1 Q2TB90 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.43
NPC1 O15118 2/20 0.43
MDM2 Q00987 1/20 0.43

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
SCHEMBL6310756 0.78 CYP2C9 (0.44) ALDH1A1GAAKDM4EHPGDHTT
SCHEMBL6313209 0.75 KMT2A (0.36) ALDH1A1GAAKDM4EHPGDHTT
SCHEMBL6311488 0.71 KDM4E (1.00) ALDH1A1GAAKDM4EHPGDHTT
SCHEMBL6313764 0.70 KDM4E (0.72) ALDH1A1GAAKDM4EHPGDHTT
SCHEMBL6312080 0.69 NPSR1 (1.00) ALDH1A1GAAKDM4EHPGDHTT
SCHEMBL6649614 0.67 KDM4E (0.91) ALDH1A1GAAKDM4EHPGDHTT
SCHEMBL6310807 0.67 KMT2A (0.72) ALDH1A1GAAKDM4EHPGDHTT
SCHEMBL6311878 0.67 KDM4E (0.91) ALDH1A1GAAKDM4EHPGDHTT
SCHEMBL6309934 0.67 KMT2A (0.71) ALDH1A1GAAKDM4EHPGDHTT
SCHEMBL5458293 0.66 KDM4E (0.53) ALDH1A1GAAKDM4EHPGDHTT

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 2550/4885GAA 58/4885KDM4E 3360/4885

“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.