SCHEMBL6311864

SCHEMBL6311864

COc1cccc(-c2c(C)c(C#N)c3nc4ccccc4n3c2N2CC[C@H](N(C)C)C2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 3/20 0.44
KCNH2 Q12809 3/20 0.44
CHRM1 P11229 2/20 0.44
ALDH1A1 P00352 7/20 0.44
GLA P06280 4/20 0.44
KDM4E B2RXH2 3/20 0.44
GAA P10253 3/20 0.44
RXFP1 Q9HBX9 2/20 0.44
LMNA P02545 3/20 0.42
RECQL P46063 1/20 0.42
HPGD P15428 2/20 0.42
TSHR P16473 2/20 0.42
CASP1 P29466 2/20 0.42
HSD17B10 Q99714 2/20 0.42
CASP7 P55210 1/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
NPSR1 Q6W5P4 2/20 0.41
HIF1A Q16665 2/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL6311811 0.90 ALDH1A1 (0.45) ALDH1A1GLAKDM4EGAARXFP1
SCHEMBL6316777 0.89 ALDH1A1 (0.45) HRH1KCNH2CHRM1ALDH1A1GLA
SCHEMBL6318155 0.89 ALDH1A1 (0.45) ALDH1A1GLAKDM4EGAARXFP1
SCHEMBL6317702 0.86 ALDH1A1 (0.44) ALDH1A1GLAKDM4EGAARXFP1
SCHEMBL6313440 0.85 ALDH1A1 (0.44) HRH1KCNH2CHRM1ALDH1A1GLA
SCHEMBL6313262 0.85 ALDH1A1 (0.46) HRH1KCNH2CHRM1ALDH1A1GLA
Formic Acid SCHEMBL6310674 0.85 ALDH1A1 (0.46) ALDH1A1GLAKDM4EGAARXFP1
SCHEMBL6310584 0.84 ALDH1A1 (0.47) HRH1KCNH2CHRM1ALDH1A1GLA
SCHEMBL6311859 0.84 ALDH1A1 (0.44) ALDH1A1GLAKDM4EGAARXFP1
SCHEMBL6399495 0.82 HRH1 (0.44) HRH1KCNH2CHRM1ALDH1A1GLA

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 HRH1 3137/4885KCNH2 3758/4885CHRM1 4226/4885

“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.