SCHEMBL6448858

SCHEMBL6448858

COc1ccc(OCc2ccccc2)c(-c2ccnn2Cc2ccccn2)c1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SYK P43405 11/20 0.55
AURKB Q96GD4 3/20 0.46
INCENP Q9NQS7 3/20 0.46
SLC16A3 O15427 1/20 0.44
SLC16A1 P53985 1/20 0.44
ABCB1 P08183 1/20 0.43
HTR1A P08908 1/20 0.43
DRD2 P14416 1/20 0.43
GRIN1 Q05586 1/20 0.42
GRIN2B Q13224 1/20 0.42
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
PTGER1 P34995 1/20 0.40
SGMS2 Q8NHU3 1/20 0.40
MAOB P27338 1/20 0.40

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
SCHEMBL6454291 0.85 HTT (0.42) SYKHTTSGMS2
SCHEMBL6448824 0.81 GRIN1 (0.46) SYKAURKBINCENPSLC16A3SLC16A1
SCHEMBL6528085 0.81 SYK (0.48) SYKAURKBINCENPSLC16A3ABCB1
SCHEMBL6449630 0.78 SYK (0.54) SYKAURKBINCENPSLC16A3SLC16A1
SCHEMBL6451994 0.73 PTGER1 (0.42) SYKABCB1HTR1ADRD2TSHR
SCHEMBL6530306 0.69 SYK (0.47) SYKAURKBINCENPKDM4EALDH1A1
SCHEMBL1094535 0.69 SCN9A (0.47) AURKBINCENPPTGER1
SCHEMBL19089278 0.68 SYK (0.67) SYKAURKBINCENPABCB1HTR1A
SCHEMBL6448897 0.67 MAOB (0.48) SYKABCB1HTR1ADRD2MAOB
SCHEMBL13791570 0.67 MAOB (0.62) ABCB1HTR1ADRD2KDM4EALDH1A1

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-20050075375-A1 Heterocyclic compounds for treating hepatitis C virus ANADYS PHARMACEUTICALS, INC. (US) 2005-04-07 US disclosed
WO-2004110351-A2 HETEROCYCLIC COMPOUNDS FOR TREATING HEPATITIS C VIRUS ANADYS PHARMACEUTICALS, INC. (US) 2004-12-23 WO 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-20050075375-A1 Heterocyclic compounds for treating hepatitis C virus HAVCR2, HCCS, LIPC SYK 4094/4885AURKB 1462/4885INCENP 4740/4885

“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.