SCHEMBL6319498

SCHEMBL6319498

Cc1c(-c2ccccc2)c(N2C[C@H](CO)[C@H](N(C)C)C2)c2c(nc3ccccn32)c1C#N

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 3/20 0.31
KDM4E B2RXH2 1/20 0.30
ADRA2A P08913 1/20 0.30
ADORA2A P29274 1/20 0.30
HTT P42858 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL6311653 0.80 HRH3 (0.37) PIK3CD
SCHEMBL6317942 0.79 KMT2A (0.38) PIK3CDKDM4EADRA2AADORA2AHTT
SCHEMBL6319337 0.77 CSNK1E (0.35) PIK3CDKDM4EADRA2AADORA2AHTT
SCHEMBL6320019 0.75 HRH4 (0.34) PIK3CDKDM4EADRA2AADORA2AHTT
SCHEMBL6311937 0.75 PIK3CD (0.33) PIK3CDKDM4EHSD17B10
SCHEMBL6311792 0.74 AKT1 (0.40) KDM4E
SCHEMBL6654557 0.74 CHRM4 (0.37) KDM4EHSD17B10
SCHEMBL6319490 0.72 ALDH1A1 (0.47) KDM4EHTTHSD17B10
SCHEMBL6310367 0.72 HTT (0.43) PIK3CDKDM4EADRA2AADORA2AHTT
SCHEMBL6310382 0.71 CKS1B (0.37)

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 PIK3CD 2813/4885KDM4E 3360/4885ADRA2A 2351/4885

“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.