SCHEMBL6079916

SCHEMBL6079916

COCOc1cccc2cc[nH]c(=O)c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.49
RPS6KA3 P51812 1/20 0.49
MELK Q14680 1/20 0.49
STK24 Q9Y6E0 1/20 0.49
PARP1 P09874 2/20 0.39
CHEK1 O14757 4/20 0.36
BCHE P06276 3/20 0.35
PTPN1 P18031 1/20 0.35
ROCK2 O75116 1/20 0.35
TNKS O95271 1/20 0.35
ROCK1 Q13464 1/20 0.35
PARP14 Q460N5 1/20 0.35
PARP10 Q53GL7 1/20 0.35
PARP2 Q9UGN5 1/20 0.35
PARP3 Q9Y6F1 1/20 0.35
GRK6 P43250 1/20 0.34
KDM4E B2RXH2 3/20 0.33
GAA P10253 2/20 0.33
RECQL P46063 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL11926107 0.80 PTPN1 (0.41) JAK2RPS6KA3CHEK1PTPN1ROCK1
SCHEMBL5745026 0.78 PTPN1 (0.35) JAK2RPS6KA3CHEK1PTPN1ROCK1
SCHEMBL5745495 0.74 DHODH (0.39) JAK2RPS6KA3CHEK1PTPN1ROCK1
SCHEMBL8974681 0.74 KDM4E (0.39) JAK2RPS6KA3CHEK1PTPN1ROCK1
SCHEMBL3021978 0.73 CYP2A6 (0.39) JAK2RPS6KA3CHEK1PTPN1ROCK1
SCHEMBL27311719 0.72 ALDH1A1 (0.44) PTPN1KDM4EGAAHPGDMEN1
SCHEMBL22914881 0.72 ADRB2 (0.48) KDM4EGAAHPGDMEN1KMT2A
SCHEMBL24367974 0.70 JAK2 (0.58) JAK2RPS6KA3MELKSTK24PARP1
SCHEMBL8974440 0.70 KCNN2 (0.40) PTPN1RECQLHPGDMEN1KMT2A
SCHEMBL168637 0.70 JAK2 (0.61) JAK2RPS6KA3MELKSTK24PARP1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060041123-A1 Antibacterial agents GLAXO GROUP LIMITED (GB) 2006-02-23 US 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-20060041123-A1 Antibacterial agents NQO2, NRDC, IFNG JAK2 4227/4885RPS6KA3 765/4885MELK 1838/4885

“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.