SCHEMBL6448824

SCHEMBL6448824

COc1ccc(O)c(-c2ccnn2Cc2ccccn2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 1/20 0.46
GRIN2B Q13224 1/20 0.46
SYK P43405 4/20 0.46
SLC16A3 O15427 1/20 0.43
SLC16A1 P53985 1/20 0.43
PLA2G2A P14555 2/20 0.41
CYP19A1 P11511 1/20 0.41
HSP90AA1 P07900 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
KDM4E B2RXH2 4/20 0.40
AURKB Q96GD4 2/20 0.40
INCENP Q9NQS7 2/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 2/20 0.39
GLA P06280 1/20 0.39
SCN9A Q15858 1/20 0.39

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
SCHEMBL6448853 0.82 GUSB (0.43) CYP19A1KMT2AMEN1KDM4EMAPT
SCHEMBL6448858 0.81 SYK (0.55) GRIN1GRIN2BSYKSLC16A3SLC16A1
SCHEMBL6450170 0.77 MAPT (0.48) SLC16A3CYP19A1HSP90AA1L3MBTL1KMT2A
SCHEMBL6448346 0.76 CYP19A1 (0.46) GRIN1GRIN2BSYKPLA2G2ACYP19A1
SCHEMBL29167678 0.72 SYK (0.48) SYKCYP19A1L3MBTL1KMT2AMEN1
SCHEMBL8625863 0.71 PLA2G2A (0.53) GRIN1GRIN2BSYKSLC16A3SLC16A1
SCHEMBL28683062 0.68 KDM4E (0.48) SYKL3MBTL1KDM4EMAPTSMN1; SMN2
SCHEMBL6454291 0.67 HTT (0.42) SYKMAPTSMN1; SMN2
SCHEMBL5326831 0.67 IDH1 (0.58) SYKCYP19A1HSP90AA1L3MBTL1KMT2A
SCHEMBL31130264 0.67 SLC16A3 (0.69) GRIN1GRIN2BSYKSLC16A3SLC16A1

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 GRIN1 4772/4885GRIN2B 4832/4885SYK 4094/4885

“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.