SCHEMBL3064005

SCHEMBL3064005

CC(C)C(O)c1cnccc1Br

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 1/20 0.35
PDE2A O00408 1/20 0.33
AXL P30530 1/20 0.32
CCNC P24863 1/20 0.31
CDK8 P49336 1/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
CASP1 P29466 1/20 0.31
BLM P54132 1/20 0.31
CASP7 P55210 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GAA P10253 1/20 0.31
POLB P06746 1/20 0.31
P2RX4 Q99571 1/20 0.31
CCNT1 O60563 1/20 0.30
PIM1 P11309 1/20 0.30
CDK9 P50750 1/20 0.30

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
SCHEMBL3064732 0.84 RPS6KA3 (0.33) RPS6KA3AXLCCNCCDK8TP53
SCHEMBL29691040 0.79 RPS6KA3 (0.39) RPS6KA3AXLCCNCCDK8TP53
SCHEMBL5700218 0.79 RPS6KA3 (0.39) RPS6KA3AXLCCNCCDK8TP53
SCHEMBL26271969 0.76 AXL (0.37) AXLCCNCCDK8TP53CYP3A4
SCHEMBL25493831 0.73 TSHR (0.38) AXLTP53CYP3A4MAPTTSHR
SCHEMBL6153433 0.73 PDE2A (0.44) RPS6KA3PDE2AMAPTGAAPOLB
SCHEMBL782704 0.72 RPS6KA3 (0.37) RPS6KA3AXLCCNCCDK8TP53
SCHEMBL17895700 0.72 CA12 (0.46) SMN1; SMN2GAA
SCHEMBL3551469 0.71 HTT (0.43) PDE2ACYP3A4TSHRBLM
SCHEMBL3064009 0.70 SMN1; SMN2 (0.55) MAPTTSHRSMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7790895-B2 Quinoline derivatives as potassium ion channel openers JANSSEN PHARMACEUTICA NV (BE) 2010-09-07 US disclosed
US-7790895-B2 Quinoline derivatives as potassium ion channel openers JANSSEN PHARMACEUTICA NV (BE) 2010-09-07 US disclosed
US-7790895-B2 Quinoline derivatives as potassium ion channel openers JANSSEN PHARMACEUTICA NV (BE) 2010-09-07 US disclosed
US-7671065-B2 Pyridine derivatives as potassium ion channel openers JANSSEN PHARMACEUTICA N.V. (BE) 2010-03-02 US disclosed
US-7671065-B2 Pyridine derivatives as potassium ion channel openers JANSSEN PHARMACEUTICA N.V. (BE) 2010-03-02 US disclosed
US-7671065-B2 Pyridine derivatives as potassium ion channel openers JANSSEN PHARMACEUTICA N.V. (BE) 2010-03-02 US disclosed
EP-1858853-A2 NOVEL PYRIDINE DERIVATIVES AS POTASSIUM ION CHANNEL OPENERS JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-28 EP disclosed
EP-1853564-A1 NOVEL QUINOLINE DERIVATIVES AS POTASSIUM ION CHANNEL OPENERS Janssen Pharmaceutica N.V. (BE) 2007-11-14 EP disclosed
US-20070054936-A1 Novel quinoline derivatives as potassium ion channel openers JANSSEN PHARMACEUTICA N.V. (BE) 2007-03-08 US disclosed
US-20070054936-A1 Novel quinoline derivatives as potassium ion channel openers JANSSEN PHARMACEUTICA N.V. (BE) 2007-03-08 US disclosed
US-20070054936-A1 Novel quinoline derivatives as potassium ion channel openers JANSSEN PHARMACEUTICA N.V. (BE) 2007-03-08 US disclosed
US-20070054935-A1 Novel pyridine derivatives as potassium ion channel openers JANSSEN PHARMACEUTICA N.V. (BE) 2007-03-08 US disclosed
US-20070054935-A1 Novel pyridine derivatives as potassium ion channel openers JANSSEN PHARMACEUTICA N.V. (BE) 2007-03-08 US disclosed
US-20070054935-A1 Novel pyridine derivatives as potassium ion channel openers JANSSEN PHARMACEUTICA N.V. (BE) 2007-03-08 US disclosed
WO-2006091800-A2 NOVEL PYRIDINE DERIVATIVES AS POTASSIUM ION CHANNEL OPENERS JANSSEN PHARMACEUTICA N.V. (BE) 2006-08-31 WO disclosed
WO-2006091769-A1 NOVEL QUINOLINE DERIVATIVES AS POTASSIUM ION CHANNEL OPENERS JANSSEN PHARMACEUTICA N.V. (BE) 2006-08-31 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-20070054936-A1 Novel quinoline derivatives as potassium ion channel openers KCNQ1, KCNQ2, KCNJ2 RPS6KA3 1399/4885PDE2A 1825/4885AXL 4403/4885
US-20070054935-A1 Novel pyridine derivatives as potassium ion channel openers KCNJ2, KCNQ2, KCNQ1 RPS6KA3 1210/4885PDE2A 2076/4885AXL 3679/4885

“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.