SCHEMBL6851833

SCHEMBL6851833

[CH2]Cc1ccc(-c2cnccn2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.51
CYP19A1 P11511 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
BRS3 P32247 1/20 0.44
MET P08581 1/20 0.42
WNT3A P56704 10/20 0.41
PIM1 P11309 1/20 0.40
PIM2 Q9P1W9 1/20 0.40
PIK3CD O00329 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
PI4KA P42356 1/20 0.40
PIK3CG P48736 1/20 0.40
PI4KB Q9UBF8 1/20 0.40
PORCN Q9H237 1/20 0.39
MAPT P10636 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38

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
SCHEMBL6852314 0.85 CYP2D6 (0.49) CYP2D6CYP19A1CYP2C9CYP2C19BRS3
SCHEMBL11541937 0.83 CYP2D6 (0.60) CYP2D6CYP19A1CYP2C9CYP2C19BRS3
SCHEMBL3156768 0.82 CYP2D6 (0.51) CYP2D6CYP19A1CYP2C9CYP2C19BRS3
SCHEMBL7708187 0.81 CYP2D6 (0.60) CYP2D6CYP19A1CYP2C9CYP2C19BRS3
SCHEMBL21753337 0.81 CYP2D6 (0.51) CYP2D6CYP19A1CYP2C9CYP2C19BRS3
SCHEMBL1919022 0.81 MKNK1 (0.55) CYP2D6CYP19A1CYP2C9CYP2C19BRS3
SCHEMBL21222736 0.81 CYP2A6 (0.55) CYP2D6CYP19A1CYP2C9CYP2C19BRS3
SCHEMBL2563996 0.81 CYP2D6 (0.51) CYP2D6CYP19A1CYP2C9CYP2C19BRS3
SCHEMBL6852664 0.78 CYP2D6 (0.49) CYP2D6CYP19A1CYP2C9CYP2C19BRS3
SCHEMBL6854228 0.78 CYP2D6 (0.49) CYP2D6CYP19A1CYP2C9CYP2C19BRS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1585775-A 6-O-acyl ketolide derivatives of erythromycine useful as antibacterials ORTHO MCNEIL PHARM INC (US) 2005-02-23 CN disclosed
US-6825170-B2 ERYTHROMYCIN TYPE MACROLIDE WITH A FUSED OXAZOLONE RING ORTHO-MCNEIL PHARMACEUTICAL, INC. 2004-11-30 US disclosed
EP-1453847-A1 6-O-ACYL KETOLIDE DERIVATIVES OF ERYTHROMYCINE USEFUL AS ANTIBACTERIALS Ortho-Mcneil Pharmaceutical, Inc. (US) 2004-09-08 EP disclosed
US-20030220272-A1 6-O-acyl ketolide antibacterials ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-11-27 US disclosed
WO-2003050132-A1 6-O-ACYL KETOLIDE DERIVATIVES OF ERYTHROMYCINE USEFUL AS ANTIBACTERIALS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2003-06-19 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-20030220272-A1 6-O-acyl ketolide antibacterials Q6ZSR9, ACSL6, RPS4Y1 CYP2D6 125/4885CYP19A1 1360/4885CYP2C9 956/4885

“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.