SCHEMBL6880858

SCHEMBL6880858

NOCC#Cc1ccc(-c2cnccn2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 4/20 0.49
CYP2C19 P33261 4/20 0.49
CYP2D6 P10635 3/20 0.49
CYP19A1 P11511 1/20 0.49
PORCN Q9H237 2/20 0.39
MELK Q14680 3/20 0.37
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PI4KA P42356 1/20 0.36
PIK3CG P48736 1/20 0.36
PI4KB Q9UBF8 1/20 0.36
CYP2A6 P11509 3/20 0.34
CYP2B6 P20813 3/20 0.34
CYP2E1 P05181 2/20 0.34
CYP3A4 P08684 2/20 0.34
PIM1 P11309 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2C8 P10632 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
SCHEMBL6852362 0.80 CYP2C9 (0.49) CYP2C9CYP2C19CYP2D6CYP19A1PORCN
SCHEMBL6881941 0.75 ADRB2 (0.44) CYP2C9CYP2C19MELKCYP2A6CYP3A4
SCHEMBL6850780 0.74 CYP2D6 (0.49) CYP2C9CYP2C19CYP2D6CYP19A1PORCN
SCHEMBL7108097 0.73 CYP2D6 (0.43) CYP2C9CYP2C19CYP2D6CYP19A1PORCN
SCHEMBL6852370 0.73 CYP2D6 (0.43) CYP2C9CYP2C19CYP2D6CYP19A1PORCN
SCHEMBL6875995 0.73 CYP2D6 (0.51) CYP2C9CYP2C19CYP2D6CYP19A1PIK3CD
SCHEMBL11541937 0.73 CYP2D6 (0.60) CYP2C9CYP2C19CYP2D6CYP19A1PIK3CD
SCHEMBL6852505 0.71 CYP2D6 (0.45) CYP2C9CYP2C19CYP2D6CYP19A1PORCN
SCHEMBL6881744 0.71 CYP2D6 (0.53) CYP2C9CYP2C19CYP2D6CYP19A1PORCN
SCHEMBL6276326 0.71 CYP2D6 (0.51) CYP2C9CYP2C19CYP2D6CYP19A1PORCN

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-6825170-B2 ERYTHROMYCIN TYPE MACROLIDE WITH A FUSED OXAZOLONE RING ORTHO-MCNEIL PHARMACEUTICAL, INC. 2004-11-30 US disclosed
US-20030220272-A1 6-O-acyl ketolide antibacterials ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-11-27 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-20030220272-A1 6-O-acyl ketolide antibacterials Q6ZSR9, ACSL6, RPS4Y1 CYP2C9 956/4885CYP2C19 1857/4885CYP2D6 125/4885

“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.