SCHEMBL6312805

SCHEMBL6312805

CCCCc1c(C)c(C#N)c2nc3ccccn3c2c1-c1cccnc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.43
MAPK1 P28482 4/20 0.43
ALDH1A1 P00352 2/20 0.43
TSHR P16473 2/20 0.43
KDM4E B2RXH2 5/20 0.41
HTT P42858 2/20 0.41
RXFP1 Q9HBX9 1/20 0.40
MAPT P10636 3/20 0.39
GAA P10253 1/20 0.38
CYP11B2 P19099 1/20 0.38
ADORA1 P30542 4/20 0.37
ADORA2A P29274 2/20 0.37
HPGD P15428 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
DYRK1A Q13627 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
CASP1 P29466 1/20 0.34

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
SCHEMBL6312086 0.80 MAPT (0.47) HSD17B10ALDH1A1KDM4EHTTMAPT
SCHEMBL6311562 0.76 HPGD (0.43) HSD17B10ALDH1A1TSHRKDM4EHTT
SCHEMBL6310742 0.76 HPGD (0.43) HSD17B10ALDH1A1TSHRKDM4EHTT
SCHEMBL6310328 0.72 NPSR1 (0.44) HSD17B10ALDH1A1TSHRKDM4EHTT
SCHEMBL6311028 0.71 L3MBTL1 (0.38) HSD17B10ALDH1A1TSHRKDM4EHTT
SCHEMBL6310367 0.70 HTT (0.43) HSD17B10ALDH1A1KDM4EHTTRXFP1
SCHEMBL6312829 0.69 MAPT (0.35) HSD17B10ALDH1A1TSHRKDM4EHTT
SCHEMBL6312801 0.69 KMT2A (0.67) HSD17B10ALDH1A1TSHRKDM4EHTT
SCHEMBL6312786 0.68 KDM4E (0.44) HSD17B10ALDH1A1KDM4EHTTRXFP1
SCHEMBL6311004 0.68 ENPP2 (0.43) HSD17B10MAPK1ALDH1A1KDM4EMAPT

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 HSD17B10 4223/4885MAPK1 772/4885ALDH1A1 2550/4885

“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.