SCHEMBL6230889

SCHEMBL6230889

OCC=Cc1ccc(-c2cnccn2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.45
CYP19A1 P11511 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
PIM2 Q9P1W9 2/20 0.43
RAB9A P51151 2/20 0.41
KMT2A Q03164 1/20 0.41
TSHR P16473 3/20 0.40
MAPT P10636 2/20 0.40
ALDH1A1 P00352 2/20 0.39
RECQL P46063 2/20 0.39
CYP3A4 P08684 1/20 0.39
HDAC4 P56524 1/20 0.37
PIM1 P11309 1/20 0.36
DHODH Q02127 1/20 0.36
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
PI4KA P42356 1/20 0.35
PIK3CG P48736 1/20 0.35

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
SCHEMBL6230887 1.00 CYP2D6 (0.45) CYP2D6CYP19A1CYP2C9CYP2C19PIM2
SCHEMBL6847994 0.80 IDO1 (0.47) CYP2D6CYP19A1CYP2C9CYP2C19PIM2
SCHEMBL6848000 0.80 IDO1 (0.47) CYP2D6CYP19A1CYP2C9CYP2C19PIM2
SCHEMBL6852658 0.80 HDAC3 (0.46) CYP2D6CYP19A1CYP2C9CYP2C19RAB9A
SCHEMBL6852650 0.80 HDAC3 (0.46) CYP2D6CYP19A1CYP2C9CYP2C19RAB9A
SCHEMBL6229775 0.78 CYP2D6 (0.45) CYP2D6CYP19A1CYP2C9CYP2C19PIM2
SCHEMBL27612843 0.78 CYP2D6 (0.49) CYP2D6CYP19A1CYP2C9CYP2C19PIM2
SCHEMBL6877288 0.77 CYP2D6 (0.45) CYP2D6CYP2C9RAB9AMAPTALDH1A1
SCHEMBL6877282 0.77 CYP2D6 (0.45) CYP2D6CYP2C9RAB9AMAPTALDH1A1
SCHEMBL11541937 0.76 CYP2D6 (0.60) CYP2D6CYP19A1CYP2C9CYP2C19PIM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1513856-A1 3-DESCLADINOSYL-6-O-CARBAMOYL AND 6-O-CARBONOYL MACROLIDE ANTIBACTERIAL AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 2005-03-16 EP disclosed
US-6825172-B2 BACTERICIDES; AGAINST GRAMNEGATIVE, GRAMPOSITIVE BACTERIA JANSSEN PHARMACEUTICA, NV (BE) 2004-11-30 US 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-20040018994-A1 3-Descladinosyl-6-O-carbamoyl and 6-O-carbonoyl macrolide antibacterial agents JANSSEN PHARMACEUTICA N.V. (BE) 2004-01-29 US disclosed
WO-2003102010-A1 3-DESCLADINOSYL-6-O-CARBAMOYL AND 6-O-CARBONOYL MACROLIDE ANTIBACTERIAL AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 2003-12-11 WO 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 (2 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
US-20040018994-A1 3-Descladinosyl-6-O-carbamoyl and 6-O-carbonoyl macrolide antibacterial agents CHCHD6, MRPL21, MRPS18B CYP2D6 59/4885CYP19A1 1971/4885CYP2C9 930/4885

“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.